@MOLECULE DB02627 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7327 -6.1026 -0.8698 O.3 1 noname -0.2911 2 B1 0.6984 -5.8538 -1.3503 B 1 noname 0.1134 3 O2 1.2204 -7.1015 -2.0656 O.3 1 noname -0.2911 4 C1 0.7133 -4.6371 -2.3425 C.2 1 noname -0.0315 5 C2 -0.0308 -4.6877 -3.5154 C.2 1 noname -0.0217 6 C3 1.4705 -3.5093 -2.0478 C.2 1 noname -0.0217 7 C4 -0.0176 -3.6105 -4.3938 C.2 1 noname -0.0344 8 C5 1.4837 -2.4321 -2.9262 C.2 1 noname -0.0344 9 C6 0.7396 -2.4827 -4.0992 C.2 1 noname -0.0171 10 C7 0.7528 -1.4055 -4.9776 C.2 1 noname -0.0171 11 C8 1.5100 -0.2777 -4.6830 C.2 1 noname -0.0344 12 C9 0.0087 -1.4561 -6.1506 C.2 1 noname -0.0344 13 C10 1.5232 0.7995 -5.5614 C.2 1 noname -0.0217 14 C11 0.0219 -0.3789 -7.0290 C.2 1 noname -0.0217 15 C12 0.7791 0.7489 -6.7344 C.2 1 noname -0.0315 16 B2 0.7940 1.9656 -7.7265 B 1 noname 0.1134 17 O3 0.2720 3.2133 -7.0112 O.3 1 noname -0.2911 18 O4 2.2251 2.2144 -8.2070 O.3 1 noname -0.2911 19 H1 -0.7519 -6.1059 0.0900 H 1 noname 0.1901 20 H2 1.4929 -7.7529 -1.4151 H 1 noname 0.1901 21 H3 -0.6245 -5.5721 -3.7465 H 1 noname 0.0619 22 H4 2.0540 -3.4697 -1.1280 H 1 noname 0.0619 23 H5 -0.6011 -3.6502 -5.3137 H 1 noname 0.0628 24 H6 2.0775 -1.5477 -2.6952 H 1 noname 0.0628 25 H7 2.0935 -0.2380 -3.7632 H 1 noname 0.0628 26 H8 -0.5851 -2.3405 -6.3816 H 1 noname 0.0628 27 H9 2.1169 1.6839 -5.3304 H 1 noname 0.0619 28 H10 -0.5616 -0.4186 -7.9488 H 1 noname 0.0619 29 H11 0.3261 3.0839 -6.0615 H 1 noname 0.1901 30 H12 2.8045 2.3151 -7.4482 H 1 noname 0.1901 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 6 8 2 8 7 9 2 9 8 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 11 13 1 14 12 14 2 15 13 15 2 16 14 15 1 17 15 16 1 18 16 17 1 19 16 18 1 20 1 19 1 21 3 20 1 22 5 21 1 23 6 22 1 24 7 23 1 25 8 24 1 26 11 25 1 27 12 26 1 28 13 27 1 29 14 28 1 30 17 29 1 31 18 30 1 @SUBSTRUCTURE 1 noname 1