@MOLECULE ubisindine 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0409 2.6851 -1.4159 O.2 1 UNL1111111111 -0.4992 2 N -0.0069 0.6238 -0.3970 N.am 1 UNL1111111111 -0.5367 3 N -3.6636 0.3239 0.2491 N.3 1 UNL1111111111 -0.4421 4 C 0.8321 -0.1718 0.5351 C.3 1 UNL1111111111 0.0671 5 C -1.4003 0.2891 -0.6248 C.3 1 UNL1111111111 -0.0481 6 C 2.0964 0.6650 0.6308 C.ar 1 UNL1111111111 -0.0096 7 C 1.9353 1.8435 -0.1233 C.ar 1 UNL1111111111 -0.1533 8 C -2.3026 0.8383 0.5155 C.3 1 UNL1111111111 -0.1462 9 C 0.5780 1.8451 -0.7366 C.2 1 UNL1111111111 0.5869 10 C 1.1273 -1.5456 -0.0089 C.ar 1 UNL1111111111 -0.0350 11 C 3.2725 0.4094 1.3049 C.ar 1 UNL1111111111 -0.1699 12 C 2.9412 2.7831 -0.2137 C.ar 1 UNL1111111111 -0.0716 13 C -4.4465 1.2766 -0.5778 C.3 1 UNL1111111111 -0.0923 14 C -4.3751 -0.0392 1.4980 C.3 1 UNL1111111111 -0.0876 15 C 0.9850 -2.6564 0.8231 C.ar 1 UNL1111111111 -0.1570 16 C 1.5575 -1.7079 -1.3264 C.ar 1 UNL1111111111 -0.1261 17 C 4.2977 1.3614 1.2154 C.ar 1 UNL1111111111 -0.1064 18 C 4.1368 2.5276 0.4709 C.ar 1 UNL1111111111 -0.1725 19 C -5.5280 0.5074 -1.3482 C.3 1 UNL1111111111 -0.4440 20 C -3.8197 -1.3674 2.0318 C.3 1 UNL1111111111 -0.4450 21 C 1.2823 -3.9283 0.3373 C.ar 1 UNL1111111111 -0.1467 22 C 1.8516 -2.9804 -1.8090 C.ar 1 UNL1111111111 -0.1458 23 C 1.7167 -4.0910 -0.9768 C.ar 1 UNL1111111111 -0.1456 24 H 0.3245 -0.2350 1.5348 H 1 UNL1111111111 0.1576 25 H -1.7179 0.7182 -1.6048 H 1 UNL1111111111 0.1651 26 H -1.5185 -0.8163 -0.7035 H 1 UNL1111111111 0.1595 27 H -1.9272 0.4767 1.4939 H 1 UNL1111111111 0.1352 28 H -2.2438 1.9457 0.5490 H 1 UNL1111111111 0.1326 29 H 3.4094 -0.5022 1.8803 H 1 UNL1111111111 0.1613 30 H 2.8072 3.6926 -0.8000 H 1 UNL1111111111 0.1693 31 H -4.9023 2.0914 0.0223 H 1 UNL1111111111 0.1110 32 H -3.7618 1.7654 -1.3079 H 1 UNL1111111111 0.1435 33 H -4.3095 0.7499 2.2760 H 1 UNL1111111111 0.1086 34 H -5.4559 -0.1675 1.2626 H 1 UNL1111111111 0.1355 35 H 0.6412 -2.5377 1.8484 H 1 UNL1111111111 0.1501 36 H 1.6585 -0.8366 -1.9749 H 1 UNL1111111111 0.1665 37 H 5.2366 1.1806 1.7379 H 1 UNL1111111111 0.1499 38 H 4.9485 3.2509 0.4171 H 1 UNL1111111111 0.1545 39 H -5.0934 -0.3696 -1.8473 H 1 UNL1111111111 0.1614 40 H -6.3192 0.1396 -0.6883 H 1 UNL1111111111 0.1390 41 H -5.9899 1.1396 -2.1124 H 1 UNL1111111111 0.1407 42 H -3.7576 -2.1082 1.2224 H 1 UNL1111111111 0.1626 43 H -2.8125 -1.2558 2.4438 H 1 UNL1111111111 0.1406 44 H -4.4639 -1.7757 2.8154 H 1 UNL1111111111 0.1368 45 H 1.1734 -4.7954 0.9850 H 1 UNL1111111111 0.1466 46 H 2.1870 -3.1071 -2.8366 H 1 UNL1111111111 0.1518 47 H 1.9486 -5.0843 -1.3544 H 1 UNL1111111111 0.1467 @BOND 1 1 9 2 2 2 4 1 3 2 5 1 4 2 9 am 5 3 8 1 6 3 13 1 7 3 14 1 8 4 6 1 9 4 10 1 10 4 24 1 11 5 8 1 12 5 25 1 13 5 26 1 14 6 7 ar 15 6 11 ar 16 7 9 1 17 7 12 ar 18 8 27 1 19 8 28 1 20 10 15 ar 21 10 16 ar 22 11 17 ar 23 11 29 1 24 12 18 ar 25 12 30 1 26 13 19 1 27 13 31 1 28 13 32 1 29 14 20 1 30 14 33 1 31 14 34 1 32 15 21 ar 33 15 35 1 34 16 22 ar 35 16 36 1 36 17 18 ar 37 17 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 19 41 1 42 20 42 1 43 20 43 1 44 20 44 1 45 21 23 ar 46 21 45 1 47 22 23 ar 48 22 46 1 49 23 47 1