@MOLECULE besonprodil 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.0121 -2.4090 -0.5818 S.O 1 UNL1111111111 1.1036 2 F 7.2961 3.6103 -0.9557 F 1 UNL1111111111 -0.1754 3 O -2.8112 -2.1766 -2.0332 O.2 1 UNL1111111111 -0.7934 4 O -5.5364 2.1445 -1.0472 O.2 1 UNL1111111111 -0.2676 5 O -6.7749 3.9585 -0.4066 O.2 1 UNL1111111111 -0.4107 6 N 1.0105 -2.1895 0.1054 N.3 1 UNL1111111111 -0.4411 7 N -6.1770 2.2938 1.1378 N.ar 1 UNL1111111111 -0.5561 8 C 3.8251 -1.4438 0.3348 C.3 1 UNL1111111111 -0.0801 9 C 2.6895 -0.4137 0.4318 C.3 1 UNL1111111111 -0.2917 10 C 3.2942 -2.8061 0.8078 C.3 1 UNL1111111111 -0.2952 11 C 1.4844 -0.8776 -0.4030 C.3 1 UNL1111111111 -0.1103 12 C 2.0709 -3.2175 -0.0338 C.3 1 UNL1111111111 -0.1095 13 C 5.0305 -1.0121 1.1946 C.3 1 UNL1111111111 -0.3055 14 C -0.2424 -2.6025 -0.5795 C.3 1 UNL1111111111 -0.0985 15 C 5.6528 0.2298 0.6379 C.ar 1 UNL1111111111 -0.0066 16 C -1.4095 -2.0079 0.2211 C.3 1 UNL1111111111 -0.4986 17 C 6.4729 0.1439 -0.4919 C.ar 1 UNL1111111111 -0.1369 18 C 5.4029 1.4720 1.2270 C.ar 1 UNL1111111111 -0.1376 19 C -3.9336 -0.9865 0.0301 C.ar 1 UNL1111111111 -0.2850 20 C 7.0396 1.2889 -1.0435 C.ar 1 UNL1111111111 -0.2083 21 C 5.9579 2.6325 0.6935 C.ar 1 UNL1111111111 -0.2095 22 C 6.7654 2.5130 -0.4354 C.ar 1 UNL1111111111 0.1831 23 C -4.3011 0.0106 -0.8809 C.ar 1 UNL1111111111 -0.1067 24 C -4.3008 -0.9410 1.3715 C.ar 1 UNL1111111111 -0.1083 25 C -5.0504 1.0419 -0.3661 C.ar 1 UNL1111111111 0.0880 26 C -5.4363 1.1108 1.0024 C.ar 1 UNL1111111111 0.1158 27 C -5.0625 0.1165 1.8885 C.ar 1 UNL1111111111 -0.2047 28 C -6.2387 2.9319 -0.1165 C.ar 1 UNL1111111111 0.6646 29 H 4.1528 -1.5274 -0.7291 H 1 UNL1111111111 0.1385 30 H 3.0309 0.5773 0.0808 H 1 UNL1111111111 0.1471 31 H 2.3812 -0.2857 1.4866 H 1 UNL1111111111 0.1495 32 H 3.0018 -2.7489 1.8739 H 1 UNL1111111111 0.1511 33 H 4.0755 -3.5817 0.7353 H 1 UNL1111111111 0.1349 34 H 0.6546 -0.1446 -0.2994 H 1 UNL1111111111 0.1375 35 H 1.7553 -0.9092 -1.4805 H 1 UNL1111111111 0.1189 36 H 2.3733 -3.3811 -1.0901 H 1 UNL1111111111 0.1160 37 H 1.6706 -4.1814 0.3478 H 1 UNL1111111111 0.1300 38 H 5.7758 -1.8338 1.2324 H 1 UNL1111111111 0.1517 39 H 4.7099 -0.8675 2.2450 H 1 UNL1111111111 0.1518 40 H -0.2790 -2.2698 -1.6438 H 1 UNL1111111111 0.1476 41 H -0.3117 -3.7118 -0.5984 H 1 UNL1111111111 0.1333 42 H -1.4058 -2.4105 1.2491 H 1 UNL1111111111 0.1707 43 H -1.2677 -0.9180 0.3342 H 1 UNL1111111111 0.1721 44 H 6.6679 -0.8269 -0.9466 H 1 UNL1111111111 0.1568 45 H 4.7651 1.5368 2.1077 H 1 UNL1111111111 0.1572 46 H 7.6762 1.2267 -1.9237 H 1 UNL1111111111 0.1716 47 H 5.7626 3.6018 1.1477 H 1 UNL1111111111 0.1716 48 H -4.0129 -0.0247 -1.9384 H 1 UNL1111111111 0.2078 49 H -4.0019 -1.7338 2.0606 H 1 UNL1111111111 0.1554 50 H -5.3419 0.1449 2.9358 H 1 UNL1111111111 0.1654 51 H -6.5878 2.6348 1.9818 H 1 UNL1111111111 0.3456 @BOND 1 1 3 2 2 1 16 1 3 1 19 1 4 2 22 1 5 4 25 ar 6 4 28 ar 7 5 28 2 8 6 11 1 9 6 12 1 10 6 14 1 11 7 26 ar 12 7 28 ar 13 7 51 1 14 8 9 1 15 8 10 1 16 8 13 1 17 8 29 1 18 9 11 1 19 9 30 1 20 9 31 1 21 10 12 1 22 10 32 1 23 10 33 1 24 11 34 1 25 11 35 1 26 12 36 1 27 12 37 1 28 13 15 1 29 13 38 1 30 13 39 1 31 14 16 1 32 14 40 1 33 14 41 1 34 15 17 ar 35 15 18 ar 36 16 42 1 37 16 43 1 38 17 20 ar 39 17 44 1 40 18 21 ar 41 18 45 1 42 19 23 ar 43 19 24 ar 44 20 22 ar 45 20 46 1 46 21 22 ar 47 21 47 1 48 23 25 ar 49 23 48 1 50 24 27 ar 51 24 49 1 52 25 26 ar 53 26 27 ar 54 27 50 1