@MOLECULE FDBD00816 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4782 0.3485 1.5770 O.2 1 UNK -0.2693 2 N -2.8530 0.8984 0.4377 N.4 1 UNK 0.2418 3 N1 0.4549 -0.0892 -0.5383 N.am 1 UNK -0.2804 4 C -1.9120 0.0247 -0.2874 C.3 1 UNK 0.0567 5 C1 -2.3428 -1.4477 -0.2403 C.3 1 UNK -0.0008 6 C2 -3.7660 -1.6334 -0.7478 C.3 1 UNK -0.0427 7 C3 -4.7100 -0.6993 -0.0048 C.3 1 UNK -0.0123 8 C4 -4.2234 0.7468 -0.0837 C.3 1 UNK -0.0314 9 C5 -0.5705 0.1157 0.3761 C.2 1 UNK 0.2655 10 C6 -2.4656 2.3124 0.3543 C.3 1 UNK -0.0424 11 C7 1.8476 -0.0793 -0.2870 C.ar 1 UNK 0.0394 12 C8 2.5510 1.1114 -0.3939 C.ar 1 UNK -0.0290 13 C9 2.4858 -1.2604 0.0613 C.ar 1 UNK -0.0290 14 C10 3.9238 1.1211 -0.1473 C.ar 1 UNK -0.0571 15 C11 3.8587 -1.2506 0.3080 C.ar 1 UNK -0.0571 16 C12 1.8790 2.3927 -0.7689 C.3 1 UNK -0.0379 17 C13 1.7432 -2.5518 0.1811 C.3 1 UNK -0.0379 18 C14 4.5776 -0.0598 0.2037 C.ar 1 UNK -0.0611 19 H -2.8229 0.6085 1.4152 H 1 UNK 0.2038 20 H1 0.1813 -0.2611 -1.4683 H 1 UNK 0.1550 21 H2 -1.8865 0.3482 -1.3070 H 1 UNK 0.0950 22 H3 -2.2872 -1.7933 0.7708 H 1 UNK 0.0325 23 H4 -1.6868 -2.0080 -0.8732 H 1 UNK 0.0325 24 H5 -4.0703 -2.6464 -0.5864 H 1 UNK 0.0269 25 H6 -3.7984 -1.4067 -1.7930 H 1 UNK 0.0269 26 H7 -4.7598 -0.9962 1.0220 H 1 UNK 0.0317 27 H8 -5.6767 -0.7591 -0.4595 H 1 UNK 0.0317 28 H9 -4.2406 1.0616 -1.1062 H 1 UNK 0.0814 29 H10 -4.8737 1.3472 0.5176 H 1 UNK 0.0814 30 H11 -2.4929 2.6300 -0.6671 H 1 UNK 0.0778 31 H12 -1.4747 2.4340 0.7393 H 1 UNK 0.0778 32 H13 -3.1469 2.9034 0.9299 H 1 UNK 0.0778 33 H14 4.4557 2.0021 -0.2246 H 1 UNK 0.0621 34 H15 4.3425 -2.1244 0.5677 H 1 UNK 0.0621 35 H16 0.8350 2.2161 -0.9230 H 1 UNK 0.0278 36 H17 2.3132 2.7728 -1.6699 H 1 UNK 0.0278 37 H18 2.0077 3.1065 0.0178 H 1 UNK 0.0278 38 H19 0.7085 -2.3899 -0.0382 H 1 UNK 0.0278 39 H20 1.8419 -2.9289 1.1776 H 1 UNK 0.0278 40 H21 2.1476 -3.2612 -0.5104 H 1 UNK 0.0278 41 H22 5.5933 -0.0526 0.3863 H 1 UNK 0.0618 @BOND 1 1 9 2 2 2 4 1 3 2 8 1 4 2 10 1 5 3 9 am 6 3 11 1 7 4 5 1 8 4 9 1 9 5 6 1 10 6 7 1 11 7 8 1 12 11 12 ar 13 11 13 ar 14 12 14 ar 15 12 16 1 16 13 15 ar 17 13 17 1 18 14 18 ar 19 15 18 ar 20 2 19 1 21 3 20 1 22 4 21 1 23 5 22 1 24 5 23 1 25 6 24 1 26 6 25 1 27 7 26 1 28 7 27 1 29 8 28 1 30 8 29 1 31 10 30 1 32 10 31 1 33 10 32 1 34 14 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1 41 17 40 1 42 18 41 1