@MOLECULE **** 38 38 1 0 0 SMALL USER_CHARGES @ATOM 1 C -0.7565 1.7483 -3.7483 C.3 1 **** 0.0000 2 C 0.1519 1.2740 -2.6217 C.3 1 **** 0.0000 3 C 0.2995 -0.2402 -2.6929 C.3 1 **** 0.0000 4 C 1.5208 1.9260 -2.7650 C.3 1 **** 0.0000 5 N -0.4228 1.6399 -1.3553 N.3 1 **** 0.0000 6 C 0.4632 1.1751 -0.3225 C.3 1 **** 0.0000 7 C -0.1081 1.5423 1.0407 C.3 1 **** 0.0000 8 C -0.3402 0.2963 1.8373 C.ar 1 **** 0.0000 9 C -0.0339 -0.9492 1.2891 C.ar 1 **** 0.0000 10 C -0.2504 -2.1101 2.0314 C.ar 1 **** 0.0000 11 C -0.7729 -2.0256 3.3219 C.ar 1 **** 0.0000 12 C -1.0791 -0.7802 3.8701 C.ar 1 **** 0.0000 13 C -0.8628 0.3808 3.1278 C.ar 1 **** 0.0000 14 O -0.9831 -3.1534 4.0429 O.3 1 **** 0.0000 15 C 0.0782 -3.4469 1.4430 C.3 1 **** 0.0000 16 O 0.5852 -3.2760 0.1471 O.3 1 **** 0.0000 17 O 0.7988 2.3681 1.7197 O.3 1 **** 0.0000 18 H -0.8650 2.8548 -3.6972 H 1 **** 0.0000 19 H -0.3108 1.4646 -4.7279 H 1 **** 0.0000 20 H -1.7571 1.2723 -3.6432 H 1 **** 0.0000 21 H 0.9633 -0.5879 -1.8699 H 1 **** 0.0000 22 H 0.7449 -0.5233 -3.6728 H 1 **** 0.0000 23 H -0.7013 -0.7157 -2.5880 H 1 **** 0.0000 24 H 1.5242 2.5903 -3.6580 H 1 **** 0.0000 25 H 1.7418 2.5275 -1.8550 H 1 **** 0.0000 26 H 2.2964 1.1371 -2.8868 H 1 **** 0.0000 27 H -0.5061 2.6550 -1.3004 H 1 **** 0.0000 28 H 0.5684 0.0694 -0.3945 H 1 **** 0.0000 29 H 1.4609 1.6524 -0.4472 H 1 **** 0.0000 30 H -1.0726 2.0811 0.9056 H 1 **** 0.0000 31 H 0.3782 -1.0158 0.2714 H 1 **** 0.0000 32 H -1.4911 -0.7135 4.8879 H 1 **** 0.0000 33 H -1.1043 1.3630 3.5601 H 1 **** 0.0000 34 H -1.3468 -2.8945 4.9063 H 1 **** 0.0000 35 H 0.8416 -3.9526 2.0757 H 1 **** 0.0000 36 H -0.8428 -4.0704 1.4017 H 1 **** 0.0000 37 H 0.7786 -4.1353 -0.1868 H 1 **** 0.0000 38 H 0.4116 2.5725 2.5538 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 18 1 3 1 19 1 4 1 20 1 5 2 3 1 6 2 4 1 7 2 5 1 8 3 21 1 9 3 22 1 10 3 23 1 11 4 24 1 12 4 25 1 13 4 26 1 14 5 6 1 15 5 27 1 16 6 7 1 17 6 28 1 18 6 29 1 19 7 8 1 20 7 17 1 21 7 30 1 22 8 9 1 23 8 13 2 24 9 10 2 25 9 31 1 26 10 11 1 27 10 15 1 28 11 12 2 29 11 14 1 30 12 13 1 31 12 32 1 32 13 33 1 33 14 34 1 34 15 16 1 35 15 35 1 36 15 36 1 37 16 37 1 38 17 38 1