@MOLECULE rabusertib 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 BR 4.5423 2.1088 -0.1856 Br 1 UNL1111111111 -0.0551 2 O -1.8530 -2.6995 -0.2445 O.3 1 UNL1111111111 -0.4459 3 O 1.0691 -2.7297 0.6187 O.3 1 UNL1111111111 -0.3615 4 O -0.4259 1.9967 0.5357 O.2 1 UNL1111111111 -0.4687 5 N -2.8427 -5.3796 -0.1996 N.3 1 UNL1111111111 -0.5072 6 N -0.1452 -0.2915 0.2955 N.am 1 UNL1111111111 -0.5701 7 N -2.2753 0.6011 0.5978 N.am 1 UNL1111111111 -0.5838 8 N -3.0185 2.3407 -0.8615 N.ar 1 UNL1111111111 -0.3267 9 N -5.1682 2.8535 0.8532 N.ar 1 UNL1111111111 -0.3302 10 C -0.9577 -3.7626 0.0791 C.3 1 UNL1111111111 0.0495 11 C -1.4502 -5.0700 -0.5719 C.3 1 UNL1111111111 -0.1627 12 C -3.7166 -4.2296 -0.4955 C.3 1 UNL1111111111 -0.1535 13 C 0.3905 -3.3134 -0.4981 C.3 1 UNL1111111111 -0.0810 14 C -3.1939 -2.9344 0.1483 C.3 1 UNL1111111111 -0.0700 15 C 1.8479 -1.6399 0.3117 C.ar 1 UNL1111111111 0.1048 16 C 1.2526 -0.3560 0.2448 C.ar 1 UNL1111111111 0.1769 17 C 3.2198 -1.8158 0.2196 C.ar 1 UNL1111111111 -0.1828 18 C 4.0571 -0.7039 0.0691 C.ar 1 UNL1111111111 0.0072 19 C 2.0903 0.7536 0.0941 C.ar 1 UNL1111111111 -0.1994 20 C 3.4633 0.5555 0.0118 C.ar 1 UNL1111111111 -0.0253 21 C 5.5292 -0.9051 -0.0145 C.3 1 UNL1111111111 -0.4440 22 C -0.8852 0.8862 0.4526 C.2 1 UNL1111111111 0.7282 23 C -3.2014 1.6237 0.2689 C.ar 1 UNL1111111111 0.2547 24 C -4.2949 1.8751 1.1338 C.ar 1 UNL1111111111 -0.0314 25 C -4.9749 3.5955 -0.2562 C.ar 1 UNL1111111111 0.1275 26 C -3.8859 3.3284 -1.1215 C.ar 1 UNL1111111111 -0.0347 27 C -5.9365 4.6944 -0.5352 C.3 1 UNL1111111111 -0.4442 28 H -0.9082 -3.8465 1.1893 H 1 UNL1111111111 0.1461 29 H -0.8028 -5.9250 -0.2850 H 1 UNL1111111111 0.1508 30 H -1.4028 -4.9900 -1.6821 H 1 UNL1111111111 0.1620 31 H -3.7660 -4.1121 -1.6028 H 1 UNL1111111111 0.1620 32 H -4.7477 -4.4596 -0.1562 H 1 UNL1111111111 0.1474 33 H 0.2669 -2.6036 -1.3362 H 1 UNL1111111111 0.1585 34 H 1.0136 -4.1621 -0.8296 H 1 UNL1111111111 0.1436 35 H -3.2528 -2.9586 1.2498 H 1 UNL1111111111 0.1260 36 H -3.7219 -2.0449 -0.2405 H 1 UNL1111111111 0.1402 37 H -2.9093 -5.6506 0.7804 H 1 UNL1111111111 0.2533 38 H 3.6349 -2.8205 0.2832 H 1 UNL1111111111 0.1720 39 H 1.6581 1.7617 0.0461 H 1 UNL1111111111 0.2193 40 H -0.6336 -1.1901 0.3203 H 1 UNL1111111111 0.3414 41 H 5.9493 -0.4845 -0.9412 H 1 UNL1111111111 0.1665 42 H 5.8145 -1.9652 0.0074 H 1 UNL1111111111 0.1529 43 H 6.0511 -0.4202 0.8265 H 1 UNL1111111111 0.1690 44 H -2.5821 -0.3476 0.3823 H 1 UNL1111111111 0.3131 45 H -4.4595 1.2997 2.0500 H 1 UNL1111111111 0.1967 46 H -3.7103 3.9093 -2.0324 H 1 UNL1111111111 0.1899 47 H -5.4646 5.6807 -0.3994 H 1 UNL1111111111 0.1726 48 H -6.8052 4.6628 0.1464 H 1 UNL1111111111 0.1825 49 H -6.3281 4.6479 -1.5610 H 1 UNL1111111111 0.1639 @BOND 1 1 20 1 2 2 10 1 3 2 14 1 4 3 13 1 5 3 15 1 6 4 22 2 7 5 11 1 8 5 12 1 9 5 37 1 10 6 16 1 11 6 22 am 12 6 40 1 13 7 22 am 14 7 23 1 15 7 44 1 16 8 23 ar 17 8 26 ar 18 9 24 ar 19 9 25 ar 20 10 11 1 21 10 13 1 22 10 28 1 23 11 29 1 24 11 30 1 25 12 14 1 26 12 31 1 27 12 32 1 28 13 33 1 29 13 34 1 30 14 35 1 31 14 36 1 32 15 16 ar 33 15 17 ar 34 16 19 ar 35 17 18 ar 36 17 38 1 37 18 20 ar 38 18 21 1 39 19 20 ar 40 19 39 1 41 21 41 1 42 21 42 1 43 21 43 1 44 23 24 ar 45 24 45 1 46 25 26 ar 47 25 27 1 48 26 46 1 49 27 47 1 50 27 48 1 51 27 49 1