@MOLECULE FDBD03162 56 57 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.9176 1.3252 -0.6239 C.3 1 UNK -0.0337 2 C1 0.4677 -0.1038 -0.3137 C.3 1 UNK 0.0961 3 C2 0.8466 -1.0232 -1.4778 C.3 1 UNK -0.0049 4 N 0.4816 -2.4070 -1.1415 N.4 1 UNK 0.2410 5 C3 1.1629 -2.8417 0.0865 C.3 1 UNK -0.0049 6 C4 0.7808 -1.9042 1.2349 C.3 1 UNK 0.0961 7 C5 1.5486 -2.3027 2.4969 C.3 1 UNK -0.0337 8 O 1.1143 -0.5601 0.8775 O.3 1 UNK -0.3634 9 C6 0.7772 -3.3154 -2.2574 C.3 1 UNK -0.0207 10 C7 2.2510 -3.1827 -2.6463 C.3 1 UNK -0.0096 11 C8 2.8843 -2.0327 -1.8605 C.3 1 UNK -0.0480 12 C9 4.1394 -2.5349 -1.1441 C.3 1 UNK -0.0529 13 C10 4.0480 -2.1934 0.3445 C.3 1 UNK -0.0531 14 C11 4.2668 -3.4610 1.1729 C.3 1 UNK -0.0531 15 C12 3.1048 -3.6369 2.1526 C.3 1 UNK -0.0531 16 C13 2.5057 -5.0350 1.9876 C.3 1 UNK -0.0531 17 C14 0.9978 -4.9196 1.7557 C.3 1 UNK -0.0531 18 C15 0.6174 -5.6828 0.4854 C.3 1 UNK -0.0529 19 C16 -0.1660 -4.7589 -0.4494 C.3 1 UNK -0.0480 20 C17 0.4899 -4.7566 -1.8316 C.3 1 UNK -0.0096 21 H 0.6525 1.9672 0.1900 H 1 UNK 0.0256 22 H1 0.4364 1.6646 -1.5173 H 1 UNK 0.0256 23 H2 1.9786 1.3432 -0.7614 H 1 UNK 0.0256 24 H3 -0.5931 -0.1192 -0.1747 H 1 UNK 0.0647 25 H4 1.9006 -0.9637 -1.6520 H 1 UNK 0.0840 26 H5 0.3239 -0.7186 -2.3604 H 1 UNK 0.0840 27 H6 -0.5239 -2.4369 -0.9729 H 1 UNK 0.2038 28 H7 2.2221 -2.8116 -0.0624 H 1 UNK 0.0840 29 H8 0.8672 -3.8417 0.3261 H 1 UNK 0.0840 30 H9 -0.2703 -1.9757 1.4219 H 1 UNK 0.0647 31 H10 2.6001 -2.2319 2.3119 H 1 UNK 0.0256 32 H11 1.3002 -3.3089 2.7627 H 1 UNK 0.0256 33 H12 1.2825 -1.6460 3.2986 H 1 UNK 0.0256 34 H13 0.1628 -3.0620 -3.0960 H 1 UNK 0.0851 35 H14 2.3266 -2.9825 -3.6947 H 1 UNK 0.0320 36 H15 2.7632 -4.0943 -2.4194 H 1 UNK 0.0320 37 H16 2.1845 -1.6658 -1.1390 H 1 UNK 0.0267 38 H17 3.1492 -1.2442 -2.5335 H 1 UNK 0.0267 39 H18 5.0030 -2.0644 -1.5656 H 1 UNK 0.0265 40 H19 4.2175 -3.5954 -1.2626 H 1 UNK 0.0265 41 H20 3.0806 -1.7897 0.5591 H 1 UNK 0.0265 42 H21 4.7985 -1.4718 0.5916 H 1 UNK 0.0265 43 H22 5.1835 -3.3768 1.7183 H 1 UNK 0.0265 44 H23 4.3157 -4.3086 0.5217 H 1 UNK 0.0265 45 H24 2.3543 -2.9013 1.9515 H 1 UNK 0.0265 46 H25 3.4617 -3.5178 3.1543 H 1 UNK 0.0265 47 H26 2.6876 -5.6077 2.8729 H 1 UNK 0.0265 48 H27 2.9594 -5.5207 1.1491 H 1 UNK 0.0265 49 H28 0.7316 -3.8891 1.6459 H 1 UNK 0.0265 50 H29 0.4754 -5.3357 2.5917 H 1 UNK 0.0265 51 H30 0.0113 -6.5259 0.7438 H 1 UNK 0.0265 52 H31 1.5053 -6.0196 -0.0077 H 1 UNK 0.0265 53 H32 -0.1646 -3.7653 -0.0523 H 1 UNK 0.0267 54 H33 -1.1739 -5.1080 -0.5335 H 1 UNK 0.0267 55 H34 1.4070 -5.3064 -1.7921 H 1 UNK 0.0320 56 H35 -0.1694 -5.2131 -2.5400 H 1 UNK 0.0320 @BOND 1 1 2 1 2 2 8 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 9 1 7 5 6 1 8 6 7 1 9 6 8 1 10 9 20 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 1 21 1 23 1 22 1 24 1 23 1 25 2 24 1 26 3 25 1 27 3 26 1 28 4 27 1 29 5 28 1 30 5 29 1 31 6 30 1 32 7 31 1 33 7 32 1 34 7 33 1 35 9 34 1 36 10 35 1 37 10 36 1 38 11 37 1 39 11 38 1 40 12 39 1 41 12 40 1 42 13 41 1 43 13 42 1 44 14 43 1 45 14 44 1 46 15 45 1 47 15 46 1 48 16 47 1 49 16 48 1 50 17 49 1 51 17 50 1 52 18 51 1 53 18 52 1 54 19 53 1 55 19 54 1 56 20 55 1 57 20 56 1