@MOLECULE FDBD00086 51 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4386 -0.8054 -0.4963 O.3 1 UNK -0.3673 2 O1 -4.0579 -0.0459 -0.2174 O.3 1 UNK -0.4617 3 O2 -3.2710 -1.7491 1.1388 O.2 1 UNK -0.2453 4 O3 3.0145 1.4654 -1.6628 O.2 1 UNK -0.2761 5 N 1.8847 2.0332 0.2911 N.am 1 UNK -0.3047 6 N1 -0.5874 3.5639 0.1757 N.4 1 UNK 0.2224 7 C 0.6178 1.4047 -0.0256 C.3 1 UNK 0.0957 8 C1 -0.5544 2.1682 0.6189 C.3 1 UNK 0.0014 9 C2 0.6391 -0.0684 0.4305 C.3 1 UNK 0.1014 10 C3 -1.8970 1.5028 0.2709 C.3 1 UNK 0.0238 11 C4 -0.7241 -0.6985 0.5076 C.2 1 UNK -0.0435 12 C5 -1.8564 0.0133 0.4242 C.2 1 UNK 0.0405 13 C6 2.0870 -1.8970 0.1368 C.3 1 UNK 0.0590 14 C7 3.4318 -1.4103 0.6880 C.3 1 UNK -0.0294 15 C8 2.2940 -3.0347 -0.8701 C.3 1 UNK -0.0294 16 C9 -3.1255 -0.7144 0.5073 C.2 1 UNK 0.3351 17 C10 2.9729 2.0060 -0.5608 C.2 1 UNK 0.2104 18 C11 4.1988 -2.5157 1.4024 C.3 1 UNK -0.0629 19 C12 0.9859 -3.5565 -1.4498 C.3 1 UNK -0.0629 20 C13 4.1510 2.7559 0.0009 C.3 1 UNK 0.0122 21 C14 -5.3615 -0.6371 -0.2333 C.3 1 UNK 0.0900 22 C15 -6.2811 0.2196 -1.0771 C.3 1 UNK -0.0306 23 H 1.9744 2.5011 1.1527 H 1 UNK 0.1493 24 H1 0.2995 4.0137 0.4025 H 1 UNK 0.1998 25 H2 -1.3473 4.0530 0.6487 H 1 UNK 0.1998 26 H3 -0.7374 3.5970 -0.8327 H 1 UNK 0.1998 27 H4 0.4736 1.4340 -1.0854 H 1 UNK 0.0584 28 H5 -0.4043 2.1407 1.6780 H 1 UNK 0.0872 29 H6 1.0398 -0.0910 1.4224 H 1 UNK 0.0661 30 H7 -2.1429 1.7366 -0.7439 H 1 UNK 0.0371 31 H8 -2.6322 1.8795 0.9510 H 1 UNK 0.0371 32 H9 -0.7903 -1.7211 0.6298 H 1 UNK 0.0603 33 H10 1.4867 -2.2699 0.9402 H 1 UNK 0.0596 34 H11 3.2521 -0.6140 1.3797 H 1 UNK 0.0287 35 H12 4.0253 -1.0828 -0.1399 H 1 UNK 0.0287 36 H13 2.7946 -3.8412 -0.3763 H 1 UNK 0.0287 37 H14 2.8726 -2.6450 -1.6814 H 1 UNK 0.0287 38 H15 3.6276 -2.8638 2.2376 H 1 UNK 0.0231 39 H16 5.1372 -2.1337 1.7464 H 1 UNK 0.0231 40 H17 4.3703 -3.3260 0.7250 H 1 UNK 0.0231 41 H18 0.3807 -3.9550 -0.6625 H 1 UNK 0.0231 42 H19 1.1939 -4.3256 -2.1640 H 1 UNK 0.0231 43 H20 0.4640 -2.7554 -1.9302 H 1 UNK 0.0231 44 H21 4.9666 2.7080 -0.6900 H 1 UNK 0.0322 45 H22 4.4445 2.3145 0.9304 H 1 UNK 0.0322 46 H23 3.8793 3.7783 0.1616 H 1 UNK 0.0322 47 H24 -5.7413 -0.6950 0.7653 H 1 UNK 0.0695 48 H25 -5.3063 -1.6228 -0.6458 H 1 UNK 0.0695 49 H26 -6.3331 1.2040 -0.6609 H 1 UNK 0.0262 50 H27 -7.2593 -0.2139 -1.0911 H 1 UNK 0.0262 51 H28 -5.9009 0.2743 -2.0758 H 1 UNK 0.0262 @BOND 1 1 9 1 2 1 13 1 3 2 16 1 4 2 21 1 5 3 16 2 6 4 17 2 7 5 7 1 8 5 17 am 9 6 8 1 10 7 8 1 11 7 9 1 12 8 10 1 13 9 11 1 14 10 12 1 15 11 12 2 16 12 16 1 17 13 14 1 18 13 15 1 19 14 18 1 20 15 19 1 21 17 20 1 22 21 22 1 23 5 23 1 24 6 24 1 25 6 25 1 26 6 26 1 27 7 27 1 28 8 28 1 29 9 29 1 30 10 30 1 31 10 31 1 32 11 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 18 38 1 39 18 39 1 40 18 40 1 41 19 41 1 42 19 42 1 43 19 43 1 44 20 44 1 45 20 45 1 46 20 46 1 47 21 47 1 48 21 48 1 49 22 49 1 50 22 50 1 51 22 51 1