@MOLECULE pf-03550096 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.8509 2.5503 -1.0955 O.3 1 UNL1111111111 -0.5835 2 O 0.1113 1.3378 -0.7822 O.2 1 UNL1111111111 -0.5150 3 O -2.0618 -1.9802 0.6091 O.2 1 UNL1111111111 -0.5694 4 O -5.1846 0.4577 -1.6374 O.2 1 UNL1111111111 -0.5323 5 N 1.8989 -0.1804 -0.6914 N.ar 1 UNL1111111111 -0.4320 6 N -2.2797 0.2030 -0.0341 N.am 1 UNL1111111111 -0.5785 7 N -0.1685 -0.8657 -0.0218 N.ar 1 UNL1111111111 -0.5240 8 N -4.4199 -1.6020 -1.1561 N.am 1 UNL1111111111 -0.6852 9 C -4.1228 1.6656 0.7909 C.3 1 UNL1111111111 0.1280 10 C -3.7036 0.2413 0.3068 C.3 1 UNL1111111111 -0.0144 11 C 3.0123 0.7312 -0.9341 C.3 1 UNL1111111111 -0.0265 12 C 3.6336 1.2204 0.3850 C.3 1 UNL1111111111 -0.3467 13 C 5.0151 1.8507 0.1270 C.3 1 UNL1111111111 0.3637 14 C -3.8270 2.7404 -0.2572 C.3 1 UNL1111111111 -0.4729 15 C -5.6260 1.6384 1.1007 C.3 1 UNL1111111111 -0.4764 16 C -3.3506 1.9794 2.0841 C.3 1 UNL1111111111 -0.4695 17 C 2.0261 -1.5012 -0.2117 C.ar 1 UNL1111111111 0.1079 18 C 0.7229 -1.9534 0.1735 C.ar 1 UNL1111111111 0.1095 19 C 0.5758 0.2525 -0.5242 C.ar 1 UNL1111111111 0.6908 20 C -1.5654 -0.9392 0.2137 C.2 1 UNL1111111111 0.7438 21 C -4.5005 -0.2453 -0.9263 C.2 1 UNL1111111111 0.5652 22 C 6.1094 0.7927 -0.0563 C.3 1 UNL1111111111 -0.5111 23 C 5.3860 2.8408 1.2346 C.3 1 UNL1111111111 -0.5162 24 C 3.1283 -2.3337 -0.1125 C.ar 1 UNL1111111111 -0.1921 25 C 0.5228 -3.2375 0.6472 C.ar 1 UNL1111111111 -0.1383 26 C 2.9134 -3.6284 0.3682 C.ar 1 UNL1111111111 -0.1323 27 C 1.6422 -4.0702 0.7365 C.ar 1 UNL1111111111 -0.1581 28 H -3.9072 -0.4782 1.1540 H 1 UNL1111111111 0.1771 29 H 3.7662 0.2108 -1.5685 H 1 UNL1111111111 0.1562 30 H 2.6411 1.6037 -1.5321 H 1 UNL1111111111 0.1879 31 H 2.9581 1.9635 0.8539 H 1 UNL1111111111 0.1662 32 H 3.7282 0.3921 1.1107 H 1 UNL1111111111 0.1559 33 H -4.2256 3.7129 0.0523 H 1 UNL1111111111 0.1488 34 H -2.7553 2.8775 -0.4338 H 1 UNL1111111111 0.1461 35 H -4.2960 2.4973 -1.2236 H 1 UNL1111111111 0.1814 36 H -5.9523 2.5829 1.5490 H 1 UNL1111111111 0.1494 37 H -5.8921 0.8363 1.7946 H 1 UNL1111111111 0.1422 38 H -6.2211 1.5013 0.1853 H 1 UNL1111111111 0.1754 39 H -2.2673 1.9893 1.9216 H 1 UNL1111111111 0.1519 40 H -3.6260 2.9658 2.4728 H 1 UNL1111111111 0.1495 41 H -3.5596 1.2479 2.8711 H 1 UNL1111111111 0.1455 42 H -1.8403 1.0519 -0.3926 H 1 UNL1111111111 0.3620 43 H 5.8867 0.1385 -0.9076 H 1 UNL1111111111 0.1601 44 H 7.0838 1.2515 -0.2519 H 1 UNL1111111111 0.1496 45 H 6.2135 0.1644 0.8339 H 1 UNL1111111111 0.1562 46 H 4.6888 3.6893 1.2481 H 1 UNL1111111111 0.1666 47 H 5.3544 2.3686 2.2222 H 1 UNL1111111111 0.1587 48 H 6.3923 3.2484 1.0981 H 1 UNL1111111111 0.1495 49 H 4.1198 -1.9983 -0.3990 H 1 UNL1111111111 0.1641 50 H -0.4706 -3.5855 0.9390 H 1 UNL1111111111 0.1966 51 H 5.6355 3.0831 -1.3126 H 1 UNL1111111111 0.3215 52 H 3.7606 -4.3078 0.4550 H 1 UNL1111111111 0.1523 53 H 1.5134 -5.0882 1.1026 H 1 UNL1111111111 0.1577 54 H -4.8724 -2.0072 -1.9492 H 1 UNL1111111111 0.3092 55 H -3.7855 -2.1803 -0.6338 H 1 UNL1111111111 0.3279 @BOND 1 1 13 1 2 1 51 1 3 2 19 2 4 3 20 2 5 4 21 2 6 5 11 1 7 5 17 ar 8 5 19 ar 9 6 10 1 10 6 20 am 11 6 42 1 12 7 18 ar 13 7 19 ar 14 7 20 am 15 8 21 am 16 8 54 1 17 8 55 1 18 9 10 1 19 9 14 1 20 9 15 1 21 9 16 1 22 10 21 1 23 10 28 1 24 11 12 1 25 11 29 1 26 11 30 1 27 12 13 1 28 12 31 1 29 12 32 1 30 13 22 1 31 13 23 1 32 14 33 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 15 38 1 38 16 39 1 39 16 40 1 40 16 41 1 41 17 18 ar 42 17 24 ar 43 18 25 ar 44 22 43 1 45 22 44 1 46 22 45 1 47 23 46 1 48 23 47 1 49 23 48 1 50 24 26 ar 51 24 49 1 52 25 27 ar 53 25 50 1 54 26 27 ar 55 26 52 1 56 27 53 1