@MOLECULE FDBD03129 62 62 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 -0.0531 10 C9 -5.6565 -8.2417 0.0118 C.3 1 UNK -0.0531 11 C10 -7.0918 -8.7713 0.0227 C.3 1 UNK -0.0531 12 C11 -7.0711 -10.3012 0.0143 C.3 1 UNK -0.0531 13 C12 -8.5065 -10.8307 0.0251 C.3 1 UNK -0.0531 14 C13 -8.4857 -12.3606 0.0167 C.3 1 UNK -0.0530 15 C14 -9.9211 -12.8902 0.0276 C.3 1 UNK -0.0525 16 C15 -9.9004 -14.4200 0.0191 C.3 1 UNK -0.0421 17 C16 -11.3358 -14.9496 0.0300 C.3 1 UNK 0.0503 18 C17 -11.3153 -16.4564 0.0217 C.cat 1 UNK 0.2811 19 N -10.2269 -17.1346 0.0131 N.2 1 UNK -0.0841 20 C18 -10.5260 -18.5736 0.0067 C.3 1 UNK 0.1671 21 C19 -12.0671 -18.6300 0.0133 C.3 1 UNK 0.1194 22 N1 -12.4520 -17.2083 0.0285 N.pl3 1 UNK -0.2337 23 H 0.9851 1.8962 0.0028 H 1 UNK 0.0230 24 H1 -0.5195 1.8709 0.8907 H 1 UNK 0.0230 25 H2 -0.5362 1.8802 -0.8564 H 1 UNK 0.0230 26 H3 0.5196 -0.3586 0.8689 H 1 UNK 0.0263 27 H4 0.5029 -0.3492 -0.8783 H 1 UNK 0.0263 28 H5 -1.9508 -0.1791 -0.8540 H 1 UNK 0.0265 29 H6 -1.9341 -0.1885 0.8932 H 1 UNK 0.0265 30 H7 -0.8951 -2.4179 0.8714 H 1 UNK 0.0265 31 H8 -0.9118 -2.4086 -0.8758 H 1 UNK 0.0265 32 H9 -3.3654 -2.2387 -0.8516 H 1 UNK 0.0265 33 H10 -3.3487 -2.2480 0.8956 H 1 UNK 0.0265 34 H11 -2.3097 -4.4774 0.8737 H 1 UNK 0.0265 35 H12 -2.3264 -4.4680 -0.8735 H 1 UNK 0.0265 36 H13 -4.7801 -4.2981 -0.8491 H 1 UNK 0.0265 37 H14 -4.7634 -4.3074 0.8981 H 1 UNK 0.0265 38 H15 -3.7243 -6.5367 0.8763 H 1 UNK 0.0265 39 H16 -3.7409 -6.5274 -0.8709 H 1 UNK 0.0265 40 H17 -6.1947 -6.3574 -0.8467 H 1 UNK 0.0265 41 H18 -6.1780 -6.3668 0.9005 H 1 UNK 0.0265 42 H19 -5.1390 -8.5961 0.8786 H 1 UNK 0.0265 43 H20 -5.1557 -8.5868 -0.8686 H 1 UNK 0.0265 44 H21 -7.6093 -8.4169 -0.8441 H 1 UNK 0.0265 45 H22 -7.5926 -8.4262 0.9031 H 1 UNK 0.0265 46 H23 -6.5536 -10.6557 0.8812 H 1 UNK 0.0265 47 H24 -6.5702 -10.6463 -0.8660 H 1 UNK 0.0265 48 H25 -9.0240 -10.4762 -0.8418 H 1 UNK 0.0265 49 H26 -9.0074 -10.4856 0.9054 H 1 UNK 0.0265 50 H27 -7.9682 -12.7150 0.8836 H 1 UNK 0.0265 51 H28 -7.9849 -12.7057 -0.8636 H 1 UNK 0.0265 52 H29 -10.4386 -12.5357 -0.8392 H 1 UNK 0.0265 53 H30 -10.4219 -12.5452 0.9080 H 1 UNK 0.0265 54 H31 -9.3829 -14.7745 0.8859 H 1 UNK 0.0271 55 H32 -9.3996 -14.7650 -0.8613 H 1 UNK 0.0271 56 H33 -11.8533 -14.5952 -0.8368 H 1 UNK 0.0387 57 H34 -11.8366 -14.6045 0.9103 H 1 UNK 0.0387 58 H35 -10.1235 -19.0503 0.8760 H 1 UNK 0.0829 59 H36 -10.0973 -19.0813 -0.8320 H 1 UNK 0.0829 60 H37 -12.4295 -19.1356 0.8839 H 1 UNK 0.0765 61 H38 -12.4724 -19.1671 -0.8186 H 1 UNK 0.0765 62 H39 -13.3730 -16.8606 0.0414 H 1 UNK 0.2911 @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 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 22 1 19 18 19 2 20 19 20 1 21 20 21 1 22 21 22 1 23 1 23 1 24 1 24 1 25 1 25 1 26 2 26 1 27 2 27 1 28 3 28 1 29 3 29 1 30 4 30 1 31 4 31 1 32 5 32 1 33 5 33 1 34 6 34 1 35 6 35 1 36 7 36 1 37 7 37 1 38 8 38 1 39 8 39 1 40 9 40 1 41 9 41 1 42 10 42 1 43 10 43 1 44 11 44 1 45 11 45 1 46 12 46 1 47 12 47 1 48 13 48 1 49 13 49 1 50 14 50 1 51 14 51 1 52 15 52 1 53 15 53 1 54 16 54 1 55 16 55 1 56 17 56 1 57 17 57 1 58 20 58 1 59 20 59 1 60 21 60 1 61 21 61 1 62 22 62 1