@MOLECULE FDBD03108 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0493 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0103 3 N 0.6878 -0.4765 -1.2033 N.am 1 UNK -0.3189 4 C2 2.1353 -0.7012 -1.1821 C.3 1 UNK 0.0103 5 C3 2.4212 -2.1448 -0.7635 C.3 1 UNK -0.0493 6 C4 -0.0130 -0.7045 -2.3317 C.2 1 UNK 0.1200 7 S -1.7046 -0.4419 -2.3566 S.2 1 UNK -0.0271 8 S1 0.7883 -1.2566 -3.7403 S.3 1 UNK -0.0271 9 S2 -0.8106 -1.3904 -5.0322 S.3 1 UNK -0.0271 10 C5 -0.8775 0.2265 -5.5909 C.2 1 UNK 0.1200 11 S3 0.2473 1.3796 -5.0114 S.2 1 UNK -0.0271 12 N1 -1.8158 0.5915 -6.4870 N.am 1 UNK -0.3189 13 C6 -2.7783 -0.3952 -6.9829 C.3 1 UNK 0.0103 14 C7 -4.0121 -0.4036 -6.0781 C.3 1 UNK -0.0493 15 C8 -1.8730 1.9751 -6.9651 C.3 1 UNK 0.0103 16 C9 -0.9943 2.1217 -8.2090 C.3 1 UNK -0.0493 17 H -0.5195 1.8709 0.8907 H 1 UNK 0.0245 18 H1 -0.5362 1.8802 -0.8565 H 1 UNK 0.0245 19 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0245 20 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0461 21 H4 0.5196 -0.3585 0.8689 H 1 UNK 0.0461 22 H5 2.5902 -0.0305 -0.4834 H 1 UNK 0.0461 23 H6 2.5377 -0.5265 -2.1580 H 1 UNK 0.0461 24 H7 2.0188 -2.3195 0.2124 H 1 UNK 0.0245 25 H8 3.4784 -2.3089 -0.7480 H 1 UNK 0.0245 26 H9 1.9663 -2.8155 -1.4622 H 1 UNK 0.0245 27 H10 -2.3276 -1.3656 -6.9804 H 1 UNK 0.0461 28 H11 -3.0692 -0.1396 -7.9804 H 1 UNK 0.0461 29 H12 -3.7212 -0.6592 -5.0806 H 1 UNK 0.0245 30 H13 -4.7151 -1.1243 -6.4403 H 1 UNK 0.0245 31 H14 -4.4628 0.5668 -6.0806 H 1 UNK 0.0245 32 H15 -1.5186 2.6322 -6.1986 H 1 UNK 0.0461 33 H16 -2.8837 2.2260 -7.2109 H 1 UNK 0.0461 34 H17 0.0164 1.8708 -7.9633 H 1 UNK 0.0245 35 H18 -1.0361 3.1323 -8.5582 H 1 UNK 0.0245 36 H19 -1.3487 1.4646 -8.9755 H 1 UNK 0.0245 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 6 1 5 4 5 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 12 15 1 14 13 14 1 15 15 16 1 16 1 17 1 17 1 18 1 18 1 19 1 19 2 20 1 20 2 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 5 26 1 26 13 27 1 27 13 28 1 28 14 29 1 29 14 30 1 30 14 31 1 31 15 32 1 32 15 33 1 33 16 34 1 34 16 35 1 35 16 36 1