62 PTZ-Nap_S0_in_the_gas_phase C -0.15447 -0.00009 -0.78115 C -0.68445 -0.00024 0.54480 C 0.20864 -0.00037 1.64520 C 1.56570 -0.00032 1.44810 C 2.08511 -0.00014 0.13415 C 1.24977 -0.00003 -0.95637 C -1.04803 0.00003 -1.88010 C -2.40476 0.00001 -1.67927 C -2.93052 -0.00013 -0.36735 C -2.08823 -0.00024 0.72023 N -4.34750 -0.00008 -0.21128 C -4.98397 -1.22952 0.06117 C -6.37744 -1.34173 -0.06964 S -7.30704 0.00006 -0.74249 C -6.37728 1.34186 -0.06992 C -4.98383 1.22952 0.06091 C -4.26215 -2.36221 0.45024 C -4.91145 -3.56565 0.70699 C -6.29388 -3.65866 0.61140 C -7.02319 -2.53638 0.23231 C -7.02288 2.53666 0.23177 C -6.29342 3.65892 0.61062 C -4.91100 3.56575 0.70626 C -4.26185 2.36217 0.44976 N 3.50490 -0.00006 -0.02977 C 4.15477 1.22896 -0.18388 C 5.54935 1.33941 -0.06308 S 6.44464 -0.00001 0.63515 C 5.54948 -1.33928 -0.06351 C 4.15487 -1.22894 -0.18418 C 6.22193 -2.52836 -0.33081 C 5.50422 -3.66083 -0.67887 C 4.11261 -3.58427 -0.74286 C 3.44176 -2.39365 -0.50832 C 3.44154 2.39365 -0.50781 C 4.11227 3.58440 -0.74201 C 5.50387 3.66111 -0.67785 C 6.22169 2.52864 -0.33003 O 6.20662 -0.00024 2.08068 O 7.82069 0.00015 0.13754 H -0.19904 -0.00052 2.65204 H 2.26244 -0.00042 2.28026 H 1.67078 0.00009 -1.95800 H -0.64169 0.00013 -2.88760 H -3.10116 0.00009 -2.51126 H -2.50580 -0.00031 1.72339 H -3.18404 -2.30621 0.53967 H -4.32271 -4.43107 0.99518 H -6.80362 -4.59249 0.82439 H -8.10449 -2.58327 0.14429 H -8.10417 2.58367 0.14375 H -6.80303 4.59286 0.82344 H -4.32215 4.43117 0.99428 H -3.18376 2.30603 0.53925 H 7.30388 -2.53843 -0.24308 H 6.01639 -4.59464 -0.88357 H 3.53388 -4.46692 -0.99799 H 2.36239 -2.35706 -0.58995 H 2.36219 2.35695 -0.58956 H 3.53348 4.46705 -0.99699 H 6.01594 4.59504 -0.88226 H 7.30363 2.53881 -0.24223 62 PTZ_S1_in_the_gas_phase C -0.15003 0.00005 -0.66248 C -0.70375 -0.00005 0.67229 C 0.17804 -0.00014 1.77654 C 1.56348 -0.00014 1.59766 C 2.08843 -0.00006 0.31704 C 1.24905 0.00004 -0.80970 C -1.03491 0.00015 -1.77685 C -2.42053 0.00015 -1.60262 C 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C 0.32260 0.00003 -0.66638 C 0.87911 -0.00004 0.66730 C -0.00185 -0.00010 1.77314 C -1.38713 -0.00010 1.59582 C -1.91450 -0.00006 0.31636 C -1.07563 0.00002 -0.81171 C 1.20593 0.00010 -1.78353 C 2.59049 0.00011 -1.61219 C 3.10092 0.00002 -0.32643 C 2.28523 -0.00004 0.81725 N 4.53766 -0.00001 -0.13771 C 5.21921 -1.18594 -0.03598 C 6.62234 -1.16914 0.14047 O 7.30169 -0.00002 0.21815 C 6.62234 1.16910 0.14053 C 5.21921 1.18591 -0.03591 C 4.56403 -2.42835 -0.10602 C 5.29737 -3.59098 -0.00474 C 6.69183 -3.55575 0.16436 C 7.35634 -2.34435 0.23741 C 7.35634 2.34431 0.23754 C 6.69182 3.55571 0.16455 C 5.29736 3.59095 -0.00455 C 4.56402 2.42832 -0.10589 N -3.34025 -0.00005 0.14441 C -3.97966 -1.22115 -0.05486 C -5.38037 -1.33918 -0.07820 S -6.36228 0.00009 0.48568 C -5.38025 1.33924 -0.07824 C -3.97956 1.22109 -0.05490 C -6.01648 2.53971 -0.38811 C -5.26433 3.67353 -0.64041 C -3.87200 3.58745 -0.56613 C -3.23407 2.39131 -0.28454 C -3.23429 -2.39147 -0.28445 C -3.87235 -3.58755 -0.56599 C 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-0.253200 2.582400 C -5.274500 -1.098500 3.535400 C -6.165100 -2.106200 3.135100 C -6.495200 -2.253500 1.782400 C -7.200800 0.714300 -2.210200 C -7.151300 2.080800 -2.512100 C -6.206800 2.906100 -1.882700 C -5.298300 2.364000 -0.965400 N 3.549100 0.003100 -0.016400 C 4.267900 1.097600 0.504400 C 5.684500 1.104400 0.562700 S 6.573100 -0.415800 0.322800 C 5.536600 -1.161200 -0.913300 C 4.132700 -0.975300 -0.846600 C 6.124800 -2.049500 -1.825200 C 5.320500 -2.817800 -2.667700 C 3.924100 -2.691100 -2.573700 C 3.334100 -1.786300 -1.689100 C 3.598900 2.263100 0.951200 C 4.321200 3.377400 1.382300 C 5.726400 3.386200 1.375600 C 6.405000 2.237200 0.967900 O 6.460300 -1.220500 1.569800 O 7.920600 -0.137600 -0.238800 H -0.145900 -1.353900 2.391900 H 2.315700 -1.239400 1.980500 H 1.658600 1.140600 -1.559400 H -0.704700 1.689400 -2.257600 H -3.119400 1.574000 -1.859600 H -2.441300 -0.775700 1.723300 H -4.016600 0.549900 2.886600 H -5.042600 -0.958100 4.594700 H -6.625900 -2.761600 3.879300 H 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