NPTS NS CUEDGE CUHITE DSPACE STPDEG STEPMM START STOP SCALE 400 3 84294. 200000. 1.92017 4000. 3150. 132976. 112780. 0.500 DELTA: 126. 24. 12. 52. 86. DELEND: 131714. 130489. 129264. 123004. 112780. SEC: 3.000 3.000 3.000 3.000 3.000 OFFSET: 1154. 1236. 1679. 4. 4. 6. 137. 4. 6. 18. 641. 3. 2. 5. 61. 20. 93. 232. 0. 0. 0. 0. 0. 0. BI CR ATP ISOMER ZA PH=2.5 7 7 0- 0- 0 132976. 2.83134E+05 4.87133E+02 5.38500E+04 132850. 2.83131E+05 4.71133E+02 5.33687E+04 132724. 2.83380E+05 4.70467E+02 5.36784E+04 132598. 2.83596E+05 4.70467E+02 5.40187E+04 132472. 2.84108E+05 4.72133E+02 5.42434E+04 132346. 2.83942E+05 4.70133E+02 5.43884E+04 132220. 2.83299E+05 4.65133E+02 5.43484E+04 132094. 2.83041E+05 4.62800E+02 5.45760E+04 131968. 2.83868E+05 4.69467E+02 5.50267E+04 131842. 2.82637E+05 4.61133E+02 5.49380E+04 131716. 2.83359E+05 4.64800E+02 5.53897E+04 131590. 2.83663E+05 4.66133E+02 5.58184E+04 131566. 2.84260E+05 4.69133E+02 5.60674E+04 131542. 2.84655E+05 4.71133E+02 5.62110E+04 131518. 2.85460E+05 4.76133E+02 5.65964E+04 131494. 2.85940E+05 4.78133E+02 5.68557E+04 131470. 2.86173E+05 4.79800E+02 5.68434E+04 131446. 2.86310E+05 4.79800E+02 5.67870E+04 131422. 2.86226E+05 4.79467E+02 5.70090E+04 131398. 2.86172E+05 4.79467E+02 5.71640E+04 131374. 2.85523E+05 4.75133E+02 5.68814E+04 131350. 2.85695E+05 4.76133E+02 5.70247E+04 131326. 2.86405E+05 4.80133E+02 5.71690E+04 131302. 2.86485E+05 4.80133E+02 5.73667E+04 131278. 2.86986E+05 4.83467E+02 5.75420E+04 131254. 2.87093E+05 4.84133E+02 5.75707E+04 131230. 2.86967E+05 4.83133E+02 5.75480E+04 131206. 2.86864E+05 4.82133E+02 5.75357E+04 131182. 2.86556E+05 4.80800E+02 5.76887E+04 131158. 2.86596E+05 4.80467E+02 5.76394E+04 131134. 2.86677E+05 4.80800E+02 5.76160E+04 131110. 2.86601E+05 4.80133E+02 5.76790E+04 131086. 2.86476E+05 4.78467E+02 5.76790E+04 131062. 2.86488E+05 4.77800E+02 5.76044E+04 131038. 2.86347E+05 4.78800E+02 5.78320E+04 131014. 2.86325E+05 4.79133E+02 5.76860E+04 130990. 2.86620E+05 4.80133E+02 5.78437E+04 130966. 2.86594E+05 4.79800E+02 5.80157E+04 130942. 2.86687E+05 4.80133E+02 5.79730E+04 130918. 2.86554E+05 4.79133E+02 5.80614E+04 130894. 2.86577E+05 4.77800E+02 5.80887E+04 130870. 2.86933E+05 4.81800E+02 5.84094E+04 130846. 2.87085E+05 4.83467E+02 5.84334E+04 130822. 2.87044E+05 4.82133E+02 5.82854E+04 130798. 2.86854E+05 4.80800E+02 5.85550E+04 130774. 2.86857E+05 4.80800E+02 5.82380E+04 130750. 2.86572E+05 4.78800E+02 5.81710E+04 130726. 2.86796E+05 4.79467E+02 5.84420E+04 130702. 2.86699E+05 4.79133E+02 5.85134E+04 130678. 2.86660E+05 4.78800E+02 5.84897E+04 130654. 2.86790E+05 4.79800E+02 5.85397E+04 130630. 2.87165E+05 4.81467E+02 5.88170E+04 130606. 2.87210E+05 4.81133E+02 5.88727E+04 130582. 2.86717E+05 4.78800E+02 5.87580E+04 130558. 2.87302E+05 4.81800E+02 5.90654E+04 130534. 2.86237E+05 4.75467E+02 5.86730E+04 130510. 2.86481E+05 4.76800E+02 5.88234E+04 130486. 2.86679E+05 4.78133E+02 5.89377E+04 130474. 2.86756E+05 4.78467E+02 5.89717E+04 130462. 2.86680E+05 4.77800E+02 5.90827E+04 130450. 2.86630E+05 4.77800E+02 5.92764E+04 130438. 2.85955E+05 4.73800E+02 5.90097E+04 130426. 2.85947E+05 4.74133E+02 5.88427E+04 130414. 2.86041E+05 4.74467E+02 5.89487E+04 130402. 2.85643E+05 4.72467E+02 5.88164E+04 130390. 2.86174E+05 4.74800E+02 5.89584E+04 130378. 2.85545E+05 4.72133E+02 5.87967E+04 130366. 2.86460E+05 4.77800E+02 5.91454E+04 130354. 2.87972E+05 4.86133E+02 5.99874E+04 130342. 2.88630E+05 4.89800E+02 5.99844E+04 130330. 2.88667E+05 4.89800E+02 6.02164E+04 130318. 2.88284E+05 4.87800E+02 6.02800E+04 130306. 2.88109E+05 4.86800E+02 6.04827E+04 130294. 2.87922E+05 4.85133E+02 6.03667E+04 130282. 2.88000E+05 4.86133E+02 6.06344E+04 130270. 2.88151E+05 4.87133E+02 6.10734E+04 130258. 2.88185E+05 4.87467E+02 6.12540E+04 130246. 2.88026E+05 4.86133E+02 6.16540E+04 130234. 2.88080E+05 4.86800E+02 6.21447E+04 130222. 2.87898E+05 4.85467E+02 6.22740E+04 130210. 2.87695E+05 4.84133E+02 6.27160E+04 130198. 2.87547E+05 4.83133E+02 6.27824E+04 130186. 2.87366E+05 4.81800E+02 6.32507E+04 130174. 2.87369E+05 4.82133E+02 6.35264E+04 130162. 2.87310E+05 4.81800E+02 6.40717E+04 130150. 2.87312E+05 4.82133E+02 6.47180E+04 130138. 2.87152E+05 4.81133E+02 6.55477E+04 130126. 2.87019E+05 4.80467E+02 6.62567E+04 130114. 2.86986E+05 4.80467E+02 6.73677E+04 130102. 2.87044E+05 4.80467E+02 6.81937E+04 130090. 2.87616E+05 4.83467E+02 6.94027E+04 130078. 2.87549E+05 4.83133E+02 7.02980E+04 130066. 2.87649E+05 4.83800E+02 7.06880E+04 130054. 2.87411E+05 4.82133E+02 7.11624E+04 130042. 2.87269E+05 4.81800E+02 7.11930E+04 130030. 2.87352E+05 4.82133E+02 7.10817E+04 130018. 2.87287E+05 4.81467E+02 7.09510E+04 130006. 2.87258E+05 4.81133E+02 7.07567E+04 129994. 2.87156E+05 4.81133E+02 7.05184E+04 129982. 2.87060E+05 4.79800E+02 7.00324E+04 129970. 2.87312E+05 4.81133E+02 7.01164E+04 129958. 2.87243E+05 4.80800E+02 6.97100E+04 129946. 2.87208E+05 4.80467E+02 6.99210E+04 129934. 2.87587E+05 4.83133E+02 6.99387E+04 129922. 2.87668E+05 4.83800E+02 6.97334E+04 129910. 2.87459E+05 4.82800E+02 6.97414E+04 129898. 2.87398E+05 4.82133E+02 6.99394E+04 129886. 2.86167E+05 4.75467E+02 6.95354E+04 129874. 2.86475E+05 4.76800E+02 6.97787E+04 129862. 2.86954E+05 4.79467E+02 6.98680E+04 129850. 2.86849E+05 4.79467E+02 6.99177E+04 129838. 2.86753E+05 4.78133E+02 6.98580E+04 129826. 2.86668E+05 4.78133E+02 6.99600E+04 129814. 2.86491E+05 4.77133E+02 6.99670E+04 129802. 2.86363E+05 4.77133E+02 7.00257E+04 129790. 2.86299E+05 4.76800E+02 7.00324E+04 129778. 2.86196E+05 4.76467E+02 6.99080E+04 129766. 2.86051E+05 4.75800E+02 6.98170E+04 129754. 2.86169E+05 4.76467E+02 7.00370E+04 129742. 2.86402E+05 4.77800E+02 6.97480E+04 129730. 2.86434E+05 4.78133E+02 6.97877E+04 129718. 2.86061E+05 4.75800E+02 6.96310E+04 129706. 2.85831E+05 4.74800E+02 6.93454E+04 129694. 2.86260E+05 4.77467E+02 6.93824E+04 129682. 2.86255E+05 4.76800E+02 6.92897E+04 129670. 2.85769E+05 4.73800E+02 6.91270E+04 129658. 2.86236E+05 4.76133E+02 6.91227E+04 129646. 2.86497E+05 4.77133E+02 6.91257E+04 129634. 2.86464E+05 4.77467E+02 6.90114E+04 129622. 2.85836E+05 4.73800E+02 6.87194E+04 129610. 2.85857E+05 4.74133E+02 6.88070E+04 129598. 2.85632E+05 4.72800E+02 6.84597E+04 129586. 2.85894E+05 4.74467E+02 6.85690E+04 129574. 2.86173E+05 4.75800E+02 6.86150E+04 129562. 2.86026E+05 4.76467E+02 6.85127E+04 129550. 2.86047E+05 4.77800E+02 6.84054E+04 129538. 2.85982E+05 4.77800E+02 6.83367E+04 129526. 2.85782E+05 4.75800E+02 6.79277E+04 129514. 2.85857E+05 4.74467E+02 6.78944E+04 129502. 2.85816E+05 4.74467E+02 6.76730E+04 129490. 2.85242E+05 4.71133E+02 6.73894E+04 129478. 2.85539E+05 4.72467E+02 6.72090E+04 129466. 2.85152E+05 4.70800E+02 6.71137E+04 129454. 2.85179E+05 4.70800E+02 6.68650E+04 129442. 2.85191E+05 4.70800E+02 6.69147E+04 129430. 2.86015E+05 4.75133E+02 6.70564E+04 129418. 2.85947E+05 4.74800E+02 6.67234E+04 129406. 2.85854E+05 4.74467E+02 6.66754E+04 129394. 2.85944E+05 4.75467E+02 6.69954E+04 129382. 2.84742E+05 4.70467E+02 6.64930E+04 129370. 2.84926E+05 4.70800E+02 6.65774E+04 129358. 2.85887E+05 4.75800E+02 6.68610E+04 129346. 2.85856E+05 4.74800E+02 6.64684E+04 129334. 2.85294E+05 4.71800E+02 6.67080E+04 129322. 2.86785E+05 4.79800E+02 6.70480E+04 129310. 2.86081E+05 4.75467E+02 6.67357E+04 129298. 2.85817E+05 4.74467E+02 6.67064E+04 129286. 2.85892E+05 4.74133E+02 6.66967E+04 129274. 2.86050E+05 4.74800E+02 6.67990E+04 129262. 2.85912E+05 4.73133E+02 6.68497E+04 129210. 2.85682E+05 4.72800E+02 6.68534E+04 129158. 2.86394E+05 4.76800E+02 6.77120E+04 129106. 2.86334E+05 4.75800E+02 6.77327E+04 129054. 2.86445E+05 4.76467E+02 6.82097E+04 129002. 2.86477E+05 4.75133E+02 6.84637E+04 128950. 2.86525E+05 4.75133E+02 6.86740E+04 128898. 2.86252E+05 4.72800E+02 6.93114E+04 128846. 2.86042E+05 4.69800E+02 6.93824E+04 128794. 2.85362E+05 4.70800E+02 6.93587E+04 128742. 2.85038E+05 4.69800E+02 6.97304E+04 128690. 2.84970E+05 4.69467E+02 6.97817E+04 128638. 2.84694E+05 4.68133E+02 6.98567E+04 128586. 2.84806E+05 4.68133E+02 6.99780E+04 128534. 2.84722E+05 4.67800E+02 7.01247E+04 128482. 2.85256E+05 4.70133E+02 7.04350E+04 128430. 2.84882E+05 4.68133E+02 7.05524E+04 128378. 2.83992E+05 4.63467E+02 7.02187E+04 128326. 2.83830E+05 4.63133E+02 7.04590E+04 128274. 2.83685E+05 4.61467E+02 7.03690E+04 128222. 2.83708E+05 4.61467E+02 7.02790E+04 128170. 2.83400E+05 4.59133E+02 7.02460E+04 128118. 2.83398E+05 4.59133E+02 7.04180E+04 128066. 2.83203E+05 4.57800E+02 7.02904E+04 128014. 2.82932E+05 4.56800E+02 7.02224E+04 127962. 2.82981E+05 4.56800E+02 7.02927E+04 127910. 2.83053E+05 4.57467E+02 7.05570E+04 127858. 2.83453E+05 4.60133E+02 7.05754E+04 127806. 2.83371E+05 4.59133E+02 7.05904E+04 127754. 2.83329E+05 4.59467E+02 7.05284E+04 127702. 2.83392E+05 4.59467E+02 7.07144E+04 127650. 2.82964E+05 4.56800E+02 7.04424E+04 127598. 2.81900E+05 4.51133E+02 7.02350E+04 127546. 2.81676E+05 4.49133E+02 7.02970E+04 127494. 2.81626E+05 4.51133E+02 7.04210E+04 127442. 2.81554E+05 4.50467E+02 7.04200E+04 127390. 2.81315E+05 4.49133E+02 7.05160E+04 127338. 2.80899E+05 4.48467E+02 7.04660E+04 127286. 2.80705E+05 4.47133E+02 7.05990E+04 127234. 2.80580E+05 4.46133E+02 7.03684E+04 127182. 2.80957E+05 4.47467E+02 7.08590E+04 127130. 2.81437E+05 4.50467E+02 7.13750E+04 127078. 2.81169E+05 4.48800E+02 7.14164E+04 127026. 2.81054E+05 4.48133E+02 7.14547E+04 126974. 2.80827E+05 4.48133E+02 7.15900E+04 126922. 2.80229E+05 4.44800E+02 7.14800E+04 126870. 2.79570E+05 4.41800E+02 7.12580E+04 126818. 2.79392E+05 4.40133E+02 7.15664E+04 126766. 2.78834E+05 4.38467E+02 7.14710E+04 126714. 2.79139E+05 4.39133E+02 7.19944E+04 126662. 2.78969E+05 4.38467E+02 7.24340E+04 126610. 2.79272E+05 4.40133E+02 7.26987E+04 126558. 2.79885E+05 4.42800E+02 7.31707E+04 126506. 2.79956E+05 4.42800E+02 7.33787E+04 126454. 2.79940E+05 4.43133E+02 7.35547E+04 126402. 2.79697E+05 4.41800E+02 7.38184E+04 126350. 2.79689E+05 4.41133E+02 7.41557E+04 126298. 2.79333E+05 4.40800E+02 7.47147E+04 126246. 2.79403E+05 4.40800E+02 7.57534E+04 126194. 2.79434E+05 4.41133E+02 7.66007E+04 126142. 2.78840E+05 4.38133E+02 7.70010E+04 126090. 2.78545E+05 4.37467E+02 7.67734E+04 126038. 2.78359E+05 4.37133E+02 7.62777E+04 125986. 2.78171E+05 4.36133E+02 7.58390E+04 125934. 2.79583E+05 4.42133E+02 7.56794E+04 125882. 2.80104E+05 4.44467E+02 7.54370E+04 125830. 2.80593E+05 4.46800E+02 7.53907E+04 125778. 2.80195E+05 4.45133E+02 7.47367E+04 125726. 2.80472E+05 4.46133E+02 7.49230E+04 125674. 2.80484E+05 4.46467E+02 7.44877E+04 125622. 2.80277E+05 4.45467E+02 7.44680E+04 125570. 2.80231E+05 4.45800E+02 7.46494E+04 125518. 2.80059E+05 4.44800E+02 7.45604E+04 125466. 2.79988E+05 4.45133E+02 7.46167E+04 125414. 2.79976E+05 4.44467E+02 7.50494E+04 125362. 2.79645E+05 4.43133E+02 7.49480E+04 125310. 2.79331E+05 4.41800E+02 7.48964E+04 125258. 2.79069E+05 4.40800E+02 7.51720E+04 125206. 2.78993E+05 4.40800E+02 7.52100E+04 125154. 2.78661E+05 4.40133E+02 7.51610E+04 125102. 2.78557E+05 4.39133E+02 7.53434E+04 125050. 2.78416E+05 4.39133E+02 7.55114E+04 124998. 2.78282E+05 4.38800E+02 7.56880E+04 124946. 2.77734E+05 4.36800E+02 7.55450E+04 124894. 2.77427E+05 4.35800E+02 7.55530E+04 124842. 2.77389E+05 4.35467E+02 7.57327E+04 124790. 2.77155E+05 4.35467E+02 7.56940E+04 124738. 2.77019E+05 4.34800E+02 7.58927E+04 124686. 2.77564E+05 4.37133E+02 7.64730E+04 124634. 2.77544E+05 4.37133E+02 7.64004E+04 124582. 2.77174E+05 4.36467E+02 7.65984E+04 124530. 2.77060E+05 4.36133E+02 7.65540E+04 124478. 2.76903E+05 4.35800E+02 7.68130E+04 124426. 2.76658E+05 4.35133E+02 7.67940E+04 124374. 2.76405E+05 4.34467E+02 7.68740E+04 124322. 2.76200E+05 4.33800E+02 7.69820E+04 124270. 2.76113E+05 4.33800E+02 7.71624E+04 124218. 2.75705E+05 4.33467E+02 7.72624E+04 124166. 2.75617E+05 4.32800E+02 7.71280E+04 124114. 2.75299E+05 4.31467E+02 7.72407E+04 124062. 2.75136E+05 4.31133E+02 7.74187E+04 124010. 2.74975E+05 4.30800E+02 7.75714E+04 123958. 2.74675E+05 4.29467E+02 7.76404E+04 123906. 2.74289E+05 4.27467E+02 7.77277E+04 123854. 2.74302E+05 4.26800E+02 7.76744E+04 123802. 2.73810E+05 4.24800E+02 7.76374E+04 123750. 2.73347E+05 4.22800E+02 7.77657E+04 123698. 2.72904E+05 4.21467E+02 7.75010E+04 123646. 2.72683E+05 4.20800E+02 7.78254E+04 123594. 2.72130E+05 4.19467E+02 7.75830E+04 123542. 2.71808E+05 4.18800E+02 7.76734E+04 123490. 2.71347E+05 4.18133E+02 7.76907E+04 123438. 2.70389E+05 4.15800E+02 7.74230E+04 123386. 2.69533E+05 4.13467E+02 7.72724E+04 123334. 2.68718E+05 4.12800E+02 7.71864E+04 123282. 2.67713E+05 4.12133E+02 7.72634E+04 123230. 2.67279E+05 4.13467E+02 7.72597E+04 123178. 2.67155E+05 4.15133E+02 7.75250E+04 123126. 2.67605E+05 4.17133E+02 7.79860E+04 123074. 2.68181E+05 4.17133E+02 7.86810E+04 123022. 2.68612E+05 4.16800E+02 7.89867E+04 122970. 2.69246E+05 4.16133E+02 7.90024E+04 122884. 2.70245E+05 4.15467E+02 7.93210E+04 122798. 2.70099E+05 4.15133E+02 7.91450E+04 122712. 2.69697E+05 4.16467E+02 7.93474E+04 122626. 2.69094E+05 4.17133E+02 7.94470E+04 122540. 2.68337E+05 4.28133E+02 7.95674E+04 122454. 2.68062E+05 4.28467E+02 7.97504E+04 122368. 2.67460E+05 4.28133E+02 7.99360E+04 122282. 2.67043E+05 4.28133E+02 8.01480E+04 122196. 2.66736E+05 4.28467E+02 8.04954E+04 122110. 2.66626E+05 4.29467E+02 8.07167E+04 122024. 2.66851E+05 4.32133E+02 8.11647E+04 121938. 2.66515E+05 4.32467E+02 8.12987E+04 121852. 2.66063E+05 4.32800E+02 8.14574E+04 121766. 2.65834E+05 4.33133E+02 8.17907E+04 121680. 2.65301E+05 4.33467E+02 8.21080E+04 121594. 2.64745E+05 4.33800E+02 8.23630E+04 121508. 2.64420E+05 4.35467E+02 8.32064E+04 121422. 2.65851E+05 4.42467E+02 8.42767E+04 121336. 2.65982E+05 4.44133E+02 8.48217E+04 121250. 2.65350E+05 4.42133E+02 8.43637E+04 121164. 2.64863E+05 4.41467E+02 8.39090E+04 121078. 2.64332E+05 4.41467E+02 8.40167E+04 120992. 2.63612E+05 4.41133E+02 8.43080E+04 120906. 2.62840E+05 4.42133E+02 8.42484E+04 120820. 2.58048E+05 4.40133E+02 8.31404E+04 120734. 2.62576E+05 4.42133E+02 8.46627E+04 120648. 2.62398E+05 4.41467E+02 8.46677E+04 120562. 2.61299E+05 4.41133E+02 8.49347E+04 120476. 2.60179E+05 4.41133E+02 8.50114E+04 120390. 2.57097E+05 4.39467E+02 8.45167E+04 120304. 2.55381E+05 4.32800E+02 8.41674E+04 120218. 2.58082E+05 4.45800E+02 8.57177E+04 120132. 2.55796E+05 4.48800E+02 8.52620E+04 120046. 2.31853E+05 4.34133E+02 7.89340E+04 119960. 2.73145E+05 4.59467E+02 9.09520E+04 119874. 2.65806E+05 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