@MOLECULE FDBD02896 45 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0559 3 C2 -1.4333 -0.5336 0.0129 C.3 1 UNK -0.0533 4 C3 -1.4126 -2.0635 0.0045 C.3 1 UNK -0.0531 5 C4 -2.8479 -2.5931 0.0153 C.3 1 UNK -0.0531 6 C5 -2.8272 -4.1229 0.0069 C.3 1 UNK -0.0531 7 C6 -4.2626 -4.6525 0.0178 C.3 1 UNK -0.0531 8 C7 -4.2418 -6.1823 0.0094 C.3 1 UNK -0.0531 9 C8 -5.6772 -6.7119 0.0202 C.3 1 UNK -0.0530 10 C9 -5.6565 -8.2417 0.0118 C.3 1 UNK -0.0502 11 C10 -7.0918 -8.7713 0.0227 C.3 1 UNK -0.0222 12 C11 -7.0711 -10.3012 0.0143 C.3 1 UNK 0.0646 13 N -8.4455 -10.8082 0.0247 N.pl3 1 UNK -0.2761 14 C12 -8.6784 -12.1632 0.0196 C.cat 1 UNK 0.3762 15 N1 -7.6763 -12.9966 0.0056 N.pl3 1 UNK -0.1298 16 N2 -9.9682 -12.6391 0.0294 N.pl3 1 UNK -0.2893 17 H 0.9851 1.8962 0.0028 H 1 UNK 0.0230 18 H1 -0.5195 1.8709 0.8907 H 1 UNK 0.0230 19 H2 -0.5362 1.8802 -0.8564 H 1 UNK 0.0230 20 H3 0.5196 -0.3586 0.8689 H 1 UNK 0.0263 21 H4 0.5029 -0.3492 -0.8783 H 1 UNK 0.0263 22 H5 -1.9508 -0.1791 -0.8540 H 1 UNK 0.0265 23 H6 -1.9341 -0.1885 0.8932 H 1 UNK 0.0265 24 H7 -0.8951 -2.4179 0.8714 H 1 UNK 0.0265 25 H8 -0.9118 -2.4086 -0.8758 H 1 UNK 0.0265 26 H9 -3.3654 -2.2387 -0.8516 H 1 UNK 0.0265 27 H10 -3.3487 -2.2480 0.8956 H 1 UNK 0.0265 28 H11 -2.3097 -4.4774 0.8737 H 1 UNK 0.0265 29 H12 -2.3264 -4.4680 -0.8735 H 1 UNK 0.0265 30 H13 -4.7801 -4.2981 -0.8491 H 1 UNK 0.0265 31 H14 -4.7634 -4.3074 0.8981 H 1 UNK 0.0265 32 H15 -3.7243 -6.5367 0.8763 H 1 UNK 0.0265 33 H16 -3.7409 -6.5274 -0.8709 H 1 UNK 0.0265 34 H17 -6.1947 -6.3574 -0.8467 H 1 UNK 0.0265 35 H18 -6.1780 -6.3668 0.9005 H 1 UNK 0.0265 36 H19 -5.1390 -8.5961 0.8786 H 1 UNK 0.0266 37 H20 -5.1557 -8.5868 -0.8686 H 1 UNK 0.0266 38 H21 -7.6093 -8.4169 -0.8441 H 1 UNK 0.0296 39 H22 -7.5926 -8.4262 0.9031 H 1 UNK 0.0296 40 H23 -6.5536 -10.6557 0.8812 H 1 UNK 0.0655 41 H24 -6.5703 -10.6463 -0.8660 H 1 UNK 0.0655 42 H25 -9.2023 -10.1787 0.0353 H 1 UNK 0.2579 43 H26 -6.7527 -12.6558 -0.0014 H 1 UNK 0.3062 44 H27 -10.7251 -12.0096 0.0400 H 1 UNK 0.2546 45 H28 -10.1349 -13.6094 0.0258 H 1 UNK 0.2546 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 2 15 14 16 1 16 1 17 1 17 1 18 1 18 1 19 1 19 2 20 1 20 2 21 1 21 3 22 1 22 3 23 1 23 4 24 1 24 4 25 1 25 5 26 1 26 5 27 1 27 6 28 1 28 6 29 1 29 7 30 1 30 7 31 1 31 8 32 1 32 8 33 1 33 9 34 1 34 9 35 1 35 10 36 1 36 10 37 1 37 11 38 1 38 11 39 1 39 12 40 1 40 12 41 1 41 13 42 1 42 15 43 1 43 16 44 1 44 16 45 1