@MOLECULE FDBD03231 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2825 1.4529 -0.0992 C.3 1 UNK -0.0574 2 C1 0.0000 -0.0494 -0.0337 C.3 1 UNK -0.0015 3 C2 0.9758 -0.3355 1.1095 C.3 1 UNK -0.0574 4 C3 -1.3081 -0.8041 0.2115 C.3 1 UNK -0.0574 5 C4 0.6148 -0.5109 -1.3565 C.3 1 UNK 0.1635 6 C5 1.9934 0.1299 -1.5292 C.3 1 UNK 0.3578 7 N 2.6372 -0.4124 -2.7282 N.ar 1 UNK -0.0296 8 C6 3.1306 0.2876 -3.7644 C.ar 1 UNK 0.2765 9 N1 3.6214 -0.5610 -4.6307 N.ar 1 UNK -0.2927 10 C7 3.4606 -1.8062 -4.1847 C.ar 1 UNK 0.1652 11 N2 2.8672 -1.7667 -3.0206 N.ar 1 UNK 0.0170 12 O 1.8472 1.5449 -1.6657 O.3 1 UNK -0.4289 13 C8 2.9194 2.3106 -1.3338 C.ar 1 UNK 0.1280 14 C9 4.1164 1.7072 -0.9726 C.ar 1 UNK -0.0191 15 C10 5.2063 2.4819 -0.6351 C.ar 1 UNK -0.0506 16 C11 5.1054 3.8718 -0.6574 C.ar 1 UNK -0.0177 17 C12 3.9025 4.4747 -1.0209 C.ar 1 UNK -0.0506 18 C13 2.8174 3.6949 -1.3620 C.ar 1 UNK -0.0191 19 C14 6.2760 4.7079 -0.2945 C.ar 1 UNK -0.0179 20 C15 7.4808 4.1064 0.0640 C.ar 1 UNK -0.0540 21 C16 8.5667 4.8891 0.4003 C.ar 1 UNK -0.0612 22 C17 8.4605 6.2682 0.3824 C.ar 1 UNK -0.0617 23 C18 7.2669 6.8706 0.0278 C.ar 1 UNK -0.0612 24 C19 6.1764 6.0977 -0.3163 C.ar 1 UNK -0.0540 25 O1 0.7484 -1.9336 -1.3491 O.3 1 UNK -0.3809 26 H -0.7125 1.7756 0.8259 H 1 UNK 0.0236 27 H1 -0.9649 1.6530 -0.8987 H 1 UNK 0.0236 28 H2 0.6323 1.9807 -0.2707 H 1 UNK 0.0236 29 H3 0.5458 -0.0127 2.0346 H 1 UNK 0.0236 30 H4 1.8907 0.1923 0.9380 H 1 UNK 0.0236 31 H5 1.1733 -1.3861 1.1553 H 1 UNK 0.0236 32 H6 -1.7381 -0.4813 1.1366 H 1 UNK 0.0236 33 H7 -1.1105 -1.8547 0.2573 H 1 UNK 0.0236 34 H8 -1.9905 -0.6041 -0.5880 H 1 UNK 0.0236 35 H9 -0.0194 -0.2165 -2.1664 H 1 UNK 0.0707 36 H10 2.5967 -0.0853 -0.6721 H 1 UNK 0.1624 37 H11 3.1235 1.3152 -3.8598 H 1 UNK 0.1625 38 H12 4.0461 -0.3162 -5.4845 H 1 UNK 0.1720 39 H13 3.7565 -2.6629 -4.6782 H 1 UNK 0.1090 40 H14 4.1907 0.6780 -0.9566 H 1 UNK 0.0654 41 H15 6.0958 2.0329 -0.3663 H 1 UNK 0.0625 42 H16 3.8239 5.5036 -1.0348 H 1 UNK 0.0625 43 H17 1.9287 4.1408 -1.6385 H 1 UNK 0.0654 44 H18 7.5609 3.0776 0.0780 H 1 UNK 0.0624 45 H19 9.4595 4.4447 0.6656 H 1 UNK 0.0618 46 H20 9.2749 6.8498 0.6346 H 1 UNK 0.0618 47 H21 7.1916 7.8998 0.0205 H 1 UNK 0.0618 48 H22 5.2889 6.5482 -0.5892 H 1 UNK 0.0624 49 H23 1.3233 -2.2005 -0.6149 H 1 UNK 0.2103 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 25 1 7 6 7 1 8 6 12 1 9 7 11 ar 10 7 8 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 12 13 1 15 13 18 ar 16 13 14 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 16 19 1 21 17 18 ar 22 19 24 ar 23 19 20 ar 24 20 21 ar 25 21 22 ar 26 22 23 ar 27 23 24 ar 28 1 26 1 29 1 27 1 30 1 28 1 31 3 29 1 32 3 30 1 33 3 31 1 34 4 32 1 35 4 33 1 36 4 34 1 37 5 35 1 38 6 36 1 39 8 37 1 40 9 38 1 41 10 39 1 42 14 40 1 43 15 41 1 44 17 42 1 45 18 43 1 46 20 44 1 47 21 45 1 48 22 46 1 49 23 47 1 50 24 48 1 51 25 49 1