@MOLECULE nan-190 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2728 0.9066 -1.2010 O.3 1 UNL1111111111 -0.2864 2 O 3.1158 0.3164 -2.3567 O.2 1 UNL1111111111 -0.4293 3 O 5.5070 1.2316 1.4455 O.2 1 UNL1111111111 -0.4332 4 N -0.7925 1.1927 0.8817 N.3 1 UNL1111111111 -0.4232 5 N -3.4761 0.2211 0.6163 N.pl3 1 UNL1111111111 -0.4029 6 N 4.2857 1.1238 -0.5233 N.am 1 UNL1111111111 -0.5691 7 C -1.5771 1.4512 -0.3501 C.3 1 UNL1111111111 -0.1208 8 C -1.7103 1.1481 2.0464 C.3 1 UNL1111111111 -0.1172 9 C -2.5695 0.2837 -0.5574 C.3 1 UNL1111111111 -0.1015 10 C -2.6966 -0.0296 1.8496 C.3 1 UNL1111111111 -0.1089 11 C 0.2658 2.2142 1.0762 C.3 1 UNL1111111111 -0.1175 12 C 1.4168 1.9192 0.0959 C.3 1 UNL1111111111 -0.2757 13 C 2.6619 2.7250 0.4685 C.3 1 UNL1111111111 -0.3051 14 C -4.5980 -0.6282 0.4220 C.ar 1 UNL1111111111 0.0968 15 C 3.8002 2.5007 -0.5449 C.3 1 UNL1111111111 -0.0403 16 C -5.5939 -0.2248 -0.5146 C.ar 1 UNL1111111111 0.1829 17 C -4.8369 -1.7843 1.1643 C.ar 1 UNL1111111111 -0.2031 18 C 3.8086 0.1100 -1.4000 C.2 1 UNL1111111111 0.5855 19 C 5.0436 0.5817 0.5508 C.2 1 UNL1111111111 0.5853 20 C 4.3789 -1.1721 -0.8810 C.ar 1 UNL1111111111 -0.1249 21 C 5.1235 -0.8882 0.2875 C.ar 1 UNL1111111111 -0.1281 22 C -6.7663 -0.9487 -0.6768 C.ar 1 UNL1111111111 -0.2658 23 C -6.0229 -2.5081 1.0075 C.ar 1 UNL1111111111 -0.1718 24 C -6.9806 -2.0950 0.0946 C.ar 1 UNL1111111111 -0.1297 25 C 4.2663 -2.4533 -1.3627 C.ar 1 UNL1111111111 -0.0827 26 C 5.7665 -1.8821 0.9847 C.ar 1 UNL1111111111 -0.0837 27 C 4.9218 -3.4767 -0.6505 C.ar 1 UNL1111111111 -0.1317 28 C 5.6551 -3.1979 0.4949 C.ar 1 UNL1111111111 -0.1320 29 C -6.2108 1.3649 -2.1639 C.3 1 UNL1111111111 -0.2142 30 H -0.8828 1.4944 -1.2159 H 1 UNL1111111111 0.1408 31 H -2.1328 2.4128 -0.3137 H 1 UNL1111111111 0.1284 32 H -2.2805 2.0914 2.1844 H 1 UNL1111111111 0.1280 33 H -1.1139 0.9718 2.9658 H 1 UNL1111111111 0.1345 34 H -2.0093 -0.6668 -0.6960 H 1 UNL1111111111 0.1336 35 H -3.1611 0.4617 -1.4807 H 1 UNL1111111111 0.1520 36 H -3.3931 -0.0731 2.7142 H 1 UNL1111111111 0.1404 37 H -2.1281 -0.9854 1.8099 H 1 UNL1111111111 0.1336 38 H -0.1015 3.2525 0.9445 H 1 UNL1111111111 0.1137 39 H 0.6446 2.1354 2.1192 H 1 UNL1111111111 0.1368 40 H 1.6340 0.8317 0.1122 H 1 UNL1111111111 0.1587 41 H 1.1107 2.1381 -0.9440 H 1 UNL1111111111 0.1461 42 H 3.0090 2.4512 1.4851 H 1 UNL1111111111 0.1564 43 H 2.4243 3.8047 0.5102 H 1 UNL1111111111 0.1441 44 H 4.6556 3.1780 -0.3104 H 1 UNL1111111111 0.1510 45 H 3.4562 2.7391 -1.5796 H 1 UNL1111111111 0.1595 46 H -4.0963 -2.1448 1.8748 H 1 UNL1111111111 0.1575 47 H -7.5256 -0.6372 -1.3864 H 1 UNL1111111111 0.1591 48 H -6.1856 -3.4013 1.6062 H 1 UNL1111111111 0.1503 49 H -7.9029 -2.6581 -0.0278 H 1 UNL1111111111 0.1472 50 H 3.6906 -2.6757 -2.2612 H 1 UNL1111111111 0.1736 51 H 6.3413 -1.6649 1.8851 H 1 UNL1111111111 0.1727 52 H 4.8468 -4.5027 -1.0108 H 1 UNL1111111111 0.1564 53 H 6.1544 -4.0052 1.0310 H 1 UNL1111111111 0.1563 54 H -7.1603 1.6324 -1.6904 H 1 UNL1111111111 0.1340 55 H -5.7138 2.2643 -2.5533 H 1 UNL1111111111 0.1529 56 H -6.3532 0.6289 -2.9600 H 1 UNL1111111111 0.1311 @BOND 1 1 16 1 2 1 29 1 3 2 18 2 4 3 19 2 5 4 7 1 6 4 8 1 7 4 11 1 8 5 9 1 9 5 10 1 10 5 14 1 11 6 15 1 12 6 18 am 13 6 19 am 14 7 9 1 15 7 30 1 16 7 31 1 17 8 10 1 18 8 32 1 19 8 33 1 20 9 34 1 21 9 35 1 22 10 36 1 23 10 37 1 24 11 12 1 25 11 38 1 26 11 39 1 27 12 13 1 28 12 40 1 29 12 41 1 30 13 15 1 31 13 42 1 32 13 43 1 33 14 16 ar 34 14 17 ar 35 15 44 1 36 15 45 1 37 16 22 ar 38 17 23 ar 39 17 46 1 40 18 20 1 41 19 21 1 42 20 21 ar 43 20 25 ar 44 21 26 ar 45 22 24 ar 46 22 47 1 47 23 24 ar 48 23 48 1 49 24 49 1 50 25 27 ar 51 25 50 1 52 26 28 ar 53 26 51 1 54 27 28 ar 55 27 52 1 56 28 53 1 57 29 54 1 58 29 55 1 59 29 56 1