@MOLECULE DB03536 56 56 1 SMALL USER_CHARGES @ATOM 1 F1 -4.5868 -3.2046 0.6705 F 1 noname -0.2424 2 C1 -3.3947 -3.8128 0.3728 C.3 1 noname 0.1500 3 C2 -3.5748 -4.7034 -0.7700 C.2 1 noname 0.1725 4 O1 -2.9156 -4.5192 -1.8159 O.2 1 noname -0.2791 5 C3 -4.5705 -5.8622 -0.6874 C.3 1 noname 0.1108 6 N1 -5.0752 -6.1229 -1.9396 N.2 1 noname -0.2147 7 C4 -3.8926 -7.0510 -0.1787 C.3 1 noname -0.0353 8 C5 -5.7097 -5.2162 -2.5727 C.2 1 noname 0.0335 9 O2 -5.8820 -4.0271 -2.0261 O.3 1 noname -0.2583 10 C6 -6.2346 -5.4874 -3.8749 C.3 1 noname 0.1186 11 N2 -7.5996 -5.3222 -3.8624 N.2 1 noname -0.1752 12 C7 -5.6134 -4.5220 -4.8864 C.3 1 noname -0.0214 13 C8 -8.2748 -5.5146 -4.9266 C.2 1 noname 0.0347 14 C9 -4.0945 -4.7058 -4.9003 C.3 1 noname -0.0381 15 O3 -9.5852 -5.3561 -4.9146 O.3 1 noname -0.2128 16 O4 -7.6635 -5.8724 -6.0405 O.3 1 noname -0.2266 17 C10 -3.4733 -3.7405 -5.9118 C.3 1 noname -0.0021 18 C11 -10.1065 -5.6254 -6.2077 C.3 1 noname 0.0822 19 N3 -2.0219 -3.9161 -5.9251 N.3 1 noname -0.2899 20 C12 -11.5559 -5.4500 -6.1944 C.2 1 noname -0.0434 21 C13 -1.4283 -2.9937 -6.8916 C.3 1 noname 0.1065 22 C14 -12.1083 -4.2080 -6.4848 C.2 1 noname -0.0497 23 C15 -12.3832 -6.5251 -5.8915 C.2 1 noname -0.0497 24 N4 0.0231 -3.1693 -6.9050 N.3 1 noname -0.3037 25 N5 -1.9649 -3.2709 -8.2230 N.3 1 noname -0.3037 26 C16 -13.4882 -4.0411 -6.4721 C.2 1 noname -0.0585 27 C17 -13.7631 -6.3581 -5.8788 C.2 1 noname -0.0585 28 C18 -14.3156 -5.1161 -6.1691 C.2 1 noname -0.0611 29 H1 -2.7225 -3.0105 0.0685 H 1 noname 0.0708 30 H2 -3.1526 -4.4270 1.2401 H 1 noname 0.0708 31 H3 -5.4428 -5.6452 -0.0709 H 1 noname 0.0632 32 H4 -3.9013 -7.0358 0.9112 H 1 noname 0.0257 33 H5 -4.4083 -7.9432 -0.5337 H 1 noname 0.0257 34 H6 -2.8621 -7.0615 -0.5337 H 1 noname 0.0257 35 H7 -5.8701 -4.1098 -1.0697 H 1 noname 0.2196 36 H8 -6.0702 -6.5405 -4.1028 H 1 noname 0.0642 37 H9 -5.9755 -4.8209 -5.8700 H 1 noname 0.0293 38 H10 -5.8050 -3.5142 -4.5182 H 1 noname 0.0293 39 H11 -3.7324 -4.4069 -3.9167 H 1 noname 0.0280 40 H12 -3.9029 -5.7137 -5.2685 H 1 noname 0.0280 41 H13 -7.6333 -6.8303 -6.0955 H 1 noname 0.2220 42 H14 -3.8203 -4.0341 -6.9025 H 1 noname 0.0428 43 H15 -3.6498 -2.7273 -5.5506 H 1 noname 0.0428 44 H16 -9.6946 -4.8626 -6.8685 H 1 noname 0.0624 45 H17 -9.9101 -6.6796 -6.4032 H 1 noname 0.0624 46 H18 -1.5088 -4.5730 -5.3548 H 1 noname 0.1250 47 H19 -1.6676 -1.9683 -6.6097 H 1 noname 0.0809 48 H20 -11.4595 -3.3650 -6.7224 H 1 noname 0.0626 49 H21 -11.9500 -7.4990 -5.6638 H 1 noname 0.0626 50 H22 0.4193 -4.0983 -6.9096 H 1 noname 0.1212 51 H23 0.6295 -2.3616 -6.9096 H 1 noname 0.1212 52 H24 -2.9616 -3.3667 -8.3559 H 1 noname 0.1212 53 H25 -1.3391 -3.3667 -9.0099 H 1 noname 0.1212 54 H26 -13.9215 -3.0671 -6.6998 H 1 noname 0.0622 55 H27 -14.4119 -7.2011 -5.6412 H 1 noname 0.0622 56 H28 -15.3977 -4.9852 -6.1592 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 5 7 1 7 6 8 2 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 11 13 2 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 15 18 1 18 17 19 1 19 18 20 1 20 19 21 1 21 20 22 2 22 20 23 1 23 21 24 1 24 21 25 1 25 22 26 1 26 23 27 2 27 26 28 2 28 27 28 1 29 2 29 1 30 2 30 1 31 5 31 1 32 7 32 1 33 7 33 1 34 7 34 1 35 9 35 1 36 10 36 1 37 12 37 1 38 12 38 1 39 14 39 1 40 14 40 1 41 16 41 1 42 17 42 1 43 17 43 1 44 18 44 1 45 18 45 1 46 19 46 1 47 21 47 1 48 22 48 1 49 23 49 1 50 24 50 1 51 24 51 1 52 25 52 1 53 25 53 1 54 26 54 1 55 27 55 1 56 28 56 1 @SUBSTRUCTURE 1 noname 1