@MOLECULE FDBD00888 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3228 -1.0400 1.5852 O.2 1 UNK -0.2702 2 N -3.8653 -0.0599 -0.0228 N.4 1 UNK 0.2359 3 N1 -0.2415 0.7861 0.2733 N.am 1 UNK -0.3063 4 N2 6.0224 0.1982 -0.9225 N.pl3 1 UNK -0.3580 5 C -2.4447 -0.0640 -0.3704 C.3 1 UNK -0.0160 6 C1 -4.6173 -0.9197 -0.9361 C.3 1 UNK -0.0348 7 C2 -4.3946 1.3030 -0.0514 C.3 1 UNK -0.0348 8 C3 -1.6610 0.8043 0.6094 C.3 1 UNK 0.0520 9 C4 -4.0805 -2.3409 -0.9193 C.3 1 UNK -0.0245 10 C5 -5.8550 1.3336 0.3668 C.3 1 UNK -0.0245 11 C6 0.6480 -0.1531 0.8002 C.2 1 UNK 0.2442 12 C7 2.0594 -0.0597 0.3484 C.ar 1 UNK 0.0368 13 C8 3.0579 -0.5236 1.1801 C.ar 1 UNK -0.0479 14 C9 2.3287 0.4871 -0.8896 C.ar 1 UNK -0.0479 15 C10 4.3838 -0.4369 0.7552 C.ar 1 UNK -0.0403 16 C11 3.6545 0.5738 -1.3144 C.ar 1 UNK -0.0403 17 C12 4.6821 0.1118 -0.4921 C.ar 1 UNK 0.0246 18 H -3.9675 -0.4262 0.9236 H 1 UNK 0.2034 19 H1 0.1040 1.4643 -0.3511 H 1 UNK 0.1492 20 H2 6.7478 -0.1279 -0.3422 H 1 UNK 0.1423 21 H3 6.2326 0.5846 -1.8033 H 1 UNK 0.1423 22 H4 -2.3219 0.3215 -1.3610 H 1 UNK 0.0830 23 H5 -2.0756 -1.0671 -0.3210 H 1 UNK 0.0830 24 H6 -4.5381 -0.5283 -1.9288 H 1 UNK 0.0812 25 H7 -5.6390 -0.9395 -0.6190 H 1 UNK 0.0812 26 H8 -4.3078 1.6904 -1.0450 H 1 UNK 0.0812 27 H9 -3.8324 1.8995 0.6363 H 1 UNK 0.0812 28 H10 -2.0235 1.8098 0.5589 H 1 UNK 0.0515 29 H11 -1.7908 0.4189 1.5991 H 1 UNK 0.0515 30 H12 -3.0579 -2.3397 -1.2343 H 1 UNK 0.0281 31 H13 -4.6579 -2.9481 -1.5847 H 1 UNK 0.0281 32 H14 -4.1476 -2.7358 0.0729 H 1 UNK 0.0281 33 H15 -6.4327 0.7410 -0.3114 H 1 UNK 0.0281 34 H16 -6.2098 2.3429 0.3498 H 1 UNK 0.0281 35 H17 -5.9509 0.9384 1.3565 H 1 UNK 0.0281 36 H18 2.8276 -0.9280 2.1012 H 1 UNK 0.0626 37 H19 1.5619 0.8263 -1.4912 H 1 UNK 0.0626 38 H20 5.1440 -0.7787 1.3637 H 1 UNK 0.0636 39 H21 3.8751 0.9798 -2.2372 H 1 UNK 0.0636 @BOND 1 1 11 2 2 2 5 1 3 2 6 1 4 2 7 1 5 3 8 1 6 3 11 am 7 4 17 1 8 5 8 1 9 6 9 1 10 7 10 1 11 11 12 1 12 12 13 ar 13 12 14 ar 14 13 15 ar 15 14 16 ar 16 15 17 ar 17 16 17 ar 18 2 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 6 24 1 25 6 25 1 26 7 26 1 27 7 27 1 28 8 28 1 29 8 29 1 30 9 30 1 31 9 31 1 32 9 32 1 33 10 33 1 34 10 34 1 35 10 35 1 36 13 36 1 37 14 37 1 38 15 38 1 39 16 39 1