@MOLECULE ondelopran 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 F -2.0008 1.3266 -2.0659 F 1 UNL1111111111 -0.1456 2 O 8.5941 -1.7530 -0.4737 O.3 1 UNL1111111111 -0.3906 3 O -3.5791 2.0802 0.0177 O.3 1 UNL1111111111 -0.2705 4 O -7.4148 -2.8650 0.6178 O.2 1 UNL1111111111 -0.5113 5 N 2.6171 0.9393 0.0770 N.3 1 UNL1111111111 -0.5397 6 N -3.5210 -0.2366 0.3313 N.ar 1 UNL1111111111 -0.4635 7 N -5.7234 -3.8240 -0.5113 N.am 1 UNL1111111111 -0.6920 8 C 6.0422 -0.7313 0.3827 C.3 1 UNL1111111111 -0.0873 9 C 6.8035 -0.1446 -0.8180 C.3 1 UNL1111111111 -0.3275 10 C 6.4292 -2.2135 0.5315 C.3 1 UNL1111111111 -0.3283 11 C 4.5233 -0.6024 0.1900 C.3 1 UNL1111111111 -0.3086 12 C 8.3059 -0.3771 -0.6364 C.3 1 UNL1111111111 -0.0356 13 C 7.9517 -2.3331 0.6457 C.3 1 UNL1111111111 -0.0346 14 C 4.0542 0.8444 0.4218 C.3 1 UNL1111111111 -0.1092 15 C 2.0596 2.2707 0.4250 C.3 1 UNL1111111111 -0.1260 16 C 0.5589 2.2115 0.3200 C.ar 1 UNL1111111111 0.0058 17 C -0.0201 1.7927 -0.8821 C.ar 1 UNL1111111111 -0.1878 18 C -0.2348 2.5560 1.4158 C.ar 1 UNL1111111111 -0.1784 19 C -1.4052 1.7176 -0.9542 C.ar 1 UNL1111111111 0.1518 20 C -1.6249 2.4719 1.3405 C.ar 1 UNL1111111111 -0.1425 21 C -2.1991 2.0510 0.1478 C.ar 1 UNL1111111111 0.1268 22 C -4.2189 0.8848 0.0583 C.ar 1 UNL1111111111 0.4116 23 C -5.6068 0.9311 -0.1807 C.ar 1 UNL1111111111 -0.3098 24 C -6.2821 -0.2785 -0.1575 C.ar 1 UNL1111111111 0.0238 25 C -5.5720 -1.4638 0.0858 C.ar 1 UNL1111111111 -0.2898 26 C -4.1979 -1.3995 0.3464 C.ar 1 UNL1111111111 0.1365 27 C -6.3217 -2.7390 0.1051 C.2 1 UNL1111111111 0.6076 28 H 6.3420 -0.1858 1.3088 H 1 UNL1111111111 0.1315 29 H 6.4619 -0.6289 -1.7532 H 1 UNL1111111111 0.1559 30 H 6.5908 0.9314 -0.9342 H 1 UNL1111111111 0.1397 31 H 6.0758 -2.7859 -0.3474 H 1 UNL1111111111 0.1547 32 H 5.9411 -2.6625 1.4130 H 1 UNL1111111111 0.1403 33 H 3.9942 -1.2848 0.8809 H 1 UNL1111111111 0.1394 34 H 4.2339 -0.9273 -0.8297 H 1 UNL1111111111 0.1621 35 H 8.7113 0.1875 0.2206 H 1 UNL1111111111 0.1135 36 H 8.8806 -0.1259 -1.5468 H 1 UNL1111111111 0.1368 37 H 8.2935 -3.3831 0.5918 H 1 UNL1111111111 0.1367 38 H 8.3346 -1.8694 1.5711 H 1 UNL1111111111 0.1141 39 H 4.6055 1.5398 -0.2499 H 1 UNL1111111111 0.1431 40 H 4.2733 1.1563 1.4648 H 1 UNL1111111111 0.1095 41 H 2.0784 0.1995 0.5273 H 1 UNL1111111111 0.2604 42 H 2.3803 2.6253 1.4294 H 1 UNL1111111111 0.1217 43 H 2.4655 3.0065 -0.3113 H 1 UNL1111111111 0.1577 44 H 0.6131 1.5154 -1.7283 H 1 UNL1111111111 0.1950 45 H 0.2288 2.8841 2.3447 H 1 UNL1111111111 0.1597 46 H -2.2537 2.7222 2.1936 H 1 UNL1111111111 0.1759 47 H -6.1040 1.8766 -0.3740 H 1 UNL1111111111 0.1920 48 H -7.3639 -0.3204 -0.3241 H 1 UNL1111111111 0.1793 49 H -3.6009 -2.2894 0.5868 H 1 UNL1111111111 0.1775 50 H -6.2017 -4.7023 -0.5434 H 1 UNL1111111111 0.3142 51 H -4.8611 -3.7572 -1.0020 H 1 UNL1111111111 0.3042 @BOND 1 1 19 1 2 2 12 1 3 2 13 1 4 3 21 1 5 3 22 1 6 4 27 2 7 5 14 1 8 5 15 1 9 5 41 1 10 6 22 ar 11 6 26 ar 12 7 27 am 13 7 50 1 14 7 51 1 15 8 9 1 16 8 10 1 17 8 11 1 18 8 28 1 19 9 12 1 20 9 29 1 21 9 30 1 22 10 13 1 23 10 31 1 24 10 32 1 25 11 14 1 26 11 33 1 27 11 34 1 28 12 35 1 29 12 36 1 30 13 37 1 31 13 38 1 32 14 39 1 33 14 40 1 34 15 16 1 35 15 42 1 36 15 43 1 37 16 17 ar 38 16 18 ar 39 17 19 ar 40 17 44 1 41 18 20 ar 42 18 45 1 43 19 21 ar 44 20 21 ar 45 20 46 1 46 22 23 ar 47 23 24 ar 48 23 47 1 49 24 25 ar 50 24 48 1 51 25 26 ar 52 25 27 1 53 26 49 1