@MOLECULE pd-168,077 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7712 -2.0685 0.9725 O.2 1 UNL1111111111 -0.5135 2 N -0.0422 -1.1826 -1.0832 N.3 1 UNL1111111111 -0.4793 3 N 2.5720 -0.2375 -0.5012 N.pl3 1 UNL1111111111 -0.4380 4 N -2.4047 -1.3254 -1.1403 N.am 1 UNL1111111111 -0.5884 5 N 3.8247 -1.7646 2.4847 N.1 1 UNL1111111111 -0.2571 6 C 0.4671 -1.1952 0.3074 C.3 1 UNL1111111111 -0.1118 7 C 1.0644 -1.3972 -2.0394 C.3 1 UNL1111111111 -0.1065 8 C 1.4648 -0.0250 0.4635 C.3 1 UNL1111111111 -0.0930 9 C 2.0672 -0.2216 -1.8904 C.3 1 UNL1111111111 -0.1026 10 C -1.1739 -2.1187 -1.2757 C.3 1 UNL1111111111 0.0867 11 C 3.7551 0.4863 -0.2431 C.ar 1 UNL1111111111 0.2465 12 C 4.5274 0.1325 0.8886 C.ar 1 UNL1111111111 -0.1329 13 C 4.2510 1.4719 -1.1160 C.ar 1 UNL1111111111 -0.2786 14 C -3.0444 -1.2794 0.0922 C.2 1 UNL1111111111 0.5768 15 C 5.7439 0.7788 1.1374 C.ar 1 UNL1111111111 -0.0561 16 C 5.4656 2.0939 -0.8591 C.ar 1 UNL1111111111 -0.0543 17 C 6.2133 1.7569 0.2706 C.ar 1 UNL1111111111 -0.2190 18 C -4.1194 -0.2569 0.2150 C.ar 1 UNL1111111111 -0.1103 19 C 4.1291 -0.9086 1.7660 C.1 1 UNL1111111111 0.1425 20 C -3.8022 1.0955 0.1047 C.ar 1 UNL1111111111 -0.1677 21 C -5.4227 -0.6705 0.4770 C.ar 1 UNL1111111111 -0.1210 22 C -4.8081 2.0520 0.2489 C.ar 1 UNL1111111111 0.0434 23 C -6.4271 0.2874 0.6143 C.ar 1 UNL1111111111 -0.1393 24 C -6.1218 1.6407 0.4992 C.ar 1 UNL1111111111 -0.1686 25 C -4.4931 3.5038 0.1399 C.3 1 UNL1111111111 -0.4571 26 H 0.9640 -2.1533 0.5784 H 1 UNL1111111111 0.1422 27 H -0.3885 -1.0596 1.0076 H 1 UNL1111111111 0.1642 28 H 0.6598 -1.3988 -3.0734 H 1 UNL1111111111 0.1354 29 H 1.5954 -2.3606 -1.8772 H 1 UNL1111111111 0.1357 30 H 0.9473 0.9430 0.2795 H 1 UNL1111111111 0.1370 31 H 1.8554 -0.0005 1.5020 H 1 UNL1111111111 0.1510 32 H 2.9144 -0.3720 -2.5933 H 1 UNL1111111111 0.1430 33 H 1.5637 0.7346 -2.1505 H 1 UNL1111111111 0.1349 34 H -1.1607 -2.5587 -2.3017 H 1 UNL1111111111 0.1341 35 H -1.1885 -2.9597 -0.5362 H 1 UNL1111111111 0.1612 36 H -2.4989 -0.5512 -1.7837 H 1 UNL1111111111 0.3099 37 H 3.6761 1.7665 -1.9899 H 1 UNL1111111111 0.1635 38 H 6.3276 0.5011 2.0177 H 1 UNL1111111111 0.1619 39 H 5.8355 2.8591 -1.5432 H 1 UNL1111111111 0.1506 40 H 7.1595 2.2554 0.4676 H 1 UNL1111111111 0.1613 41 H -2.7736 1.4042 -0.0798 H 1 UNL1111111111 0.1612 42 H -5.6492 -1.7315 0.5829 H 1 UNL1111111111 0.1670 43 H -7.4501 -0.0242 0.8174 H 1 UNL1111111111 0.1532 44 H -6.9079 2.3853 0.6091 H 1 UNL1111111111 0.1523 45 H -3.4299 3.6968 -0.0573 H 1 UNL1111111111 0.1582 46 H -5.0625 3.9780 -0.6731 H 1 UNL1111111111 0.1592 47 H -4.7480 4.0383 1.0676 H 1 UNL1111111111 0.1623 @BOND 1 1 14 2 2 2 6 1 3 2 7 1 4 2 10 1 5 3 8 1 6 3 9 1 7 3 11 1 8 4 10 1 9 4 14 am 10 4 36 1 11 5 19 3 12 6 8 1 13 6 26 1 14 6 27 1 15 7 9 1 16 7 28 1 17 7 29 1 18 8 30 1 19 8 31 1 20 9 32 1 21 9 33 1 22 10 34 1 23 10 35 1 24 11 12 ar 25 11 13 ar 26 12 15 ar 27 12 19 1 28 13 16 ar 29 13 37 1 30 14 18 1 31 15 17 ar 32 15 38 1 33 16 17 ar 34 16 39 1 35 17 40 1 36 18 20 ar 37 18 21 ar 38 20 22 ar 39 20 41 1 40 21 23 ar 41 21 42 1 42 22 24 ar 43 22 25 1 44 23 24 ar 45 23 43 1 46 24 44 1 47 25 45 1 48 25 46 1 49 25 47 1