@MOLECULE FDBD00019 44 43 0 0 0 SMALL GASTEIGER @ATOM 1 N 3.1077 0.3677 -0.0218 N.4 1 UNK 0.2271 2 N1 -3.1092 -0.3632 -0.0212 N.4 1 UNK 0.2271 3 N2 8.0341 0.3370 0.0499 N.4 1 UNK 0.2187 4 N3 -8.0357 -0.3745 0.0459 N.4 1 UNK 0.2187 5 C 0.6572 0.4524 -0.0399 C.3 1 UNK -0.0078 6 C1 -0.6266 -0.3840 -0.0368 C.3 1 UNK -0.0078 7 C2 1.8959 -0.4433 -0.0275 C.3 1 UNK -0.0335 8 C3 -1.9044 0.4577 -0.0213 C.3 1 UNK -0.0335 9 C4 4.2957 -0.4740 0.0003 C.3 1 UNK -0.0288 10 C5 -4.3043 0.4683 0.0039 C.3 1 UNK -0.0288 11 C6 5.5832 0.3529 0.0150 C.3 1 UNK 0.0275 12 C7 -5.5848 -0.3695 0.0133 C.3 1 UNK 0.0275 13 C8 6.8465 -0.5097 0.0194 C.3 1 UNK -0.0305 14 C9 -6.8554 0.4824 0.0208 C.3 1 UNK -0.0305 15 H 3.1060 0.9649 0.8051 H 1 UNK 0.2013 16 H1 3.1250 0.9340 -0.8700 H 1 UNK 0.2013 17 H2 -3.1035 -0.9647 0.8026 H 1 UNK 0.2013 18 H3 -3.1209 -0.9251 -0.8724 H 1 UNK 0.2013 19 H4 8.8692 -0.2486 0.0526 H 1 UNK 0.1994 20 H5 8.0198 0.9126 0.8919 H 1 UNK 0.1994 21 H6 8.0437 0.9391 -0.7734 H 1 UNK 0.1994 22 H7 -8.8758 0.2040 0.0507 H 1 UNK 0.1994 23 H8 -8.0172 -0.9542 0.8850 H 1 UNK 0.1994 24 H9 -8.0394 -0.9725 -0.7804 H 1 UNK 0.1994 25 H10 0.6692 1.0779 0.8282 H 1 UNK 0.0319 26 H11 0.6749 1.0456 -0.9302 H 1 UNK 0.0319 27 H12 -0.6219 -1.0082 0.8322 H 1 UNK 0.0319 28 H13 -0.6346 -0.9510 -0.9442 H 1 UNK 0.0319 29 H14 1.8783 -1.0576 0.8484 H 1 UNK 0.0814 30 H15 1.8912 -1.0554 -0.9051 H 1 UNK 0.0814 31 H16 -1.9038 1.0676 0.8579 H 1 UNK 0.0814 32 H17 -1.9145 1.0528 -0.9105 H 1 UNK 0.0814 33 H18 4.2946 -1.0962 -0.8702 H 1 UNK 0.0816 34 H19 4.2690 -1.0604 0.8949 H 1 UNK 0.0816 35 H20 -4.3076 1.0948 -0.8635 H 1 UNK 0.0816 36 H21 -4.2834 1.0505 0.9014 H 1 UNK 0.0816 37 H22 5.5853 0.9654 0.8924 H 1 UNK 0.0369 38 H23 5.5982 0.9385 -0.8804 H 1 UNK 0.0369 39 H24 -5.5825 -0.9863 0.8876 H 1 UNK 0.0369 40 H25 -5.5940 -0.9507 -0.8850 H 1 UNK 0.0369 41 H26 6.8403 -1.1412 0.8831 H 1 UNK 0.0815 42 H27 6.8654 -1.1060 -0.8688 H 1 UNK 0.0815 43 H28 -6.8554 1.1096 0.8877 H 1 UNK 0.0815 44 H29 -6.8785 1.0831 -0.8644 H 1 UNK 0.0815 @BOND 1 1 7 1 2 1 9 1 3 2 8 1 4 2 10 1 5 3 13 1 6 4 14 1 7 5 6 1 8 5 7 1 9 6 8 1 10 9 11 1 11 10 12 1 12 11 13 1 13 12 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 6 27 1 27 6 28 1 28 7 29 1 29 7 30 1 30 8 31 1 31 8 32 1 32 9 33 1 33 9 34 1 34 10 35 1 35 10 36 1 36 11 37 1 37 11 38 1 38 12 39 1 39 12 40 1 40 13 41 1 41 13 42 1 42 14 43 1 43 14 44 1