@MOLECULE DB02273 31 30 1 SMALL USER_CHARGES @ATOM 1 O1 2.7044 -3.5455 1.3238 O.3 1 noname -0.3903 2 C1 2.6845 -2.1262 1.2838 C.3 1 noname 0.0593 3 C2 1.5253 -1.6570 0.4025 C.3 1 noname -0.0247 4 C3 2.5020 -1.5787 2.7008 C.3 1 noname -0.0364 5 C4 4.0049 -1.6138 0.7052 C.3 1 noname -0.0364 6 C5 1.5038 -0.1278 0.3595 C.3 1 noname -0.0500 7 C6 0.3446 0.3415 -0.5219 C.3 1 noname -0.0471 8 C7 0.3231 1.8707 -0.5649 C.3 1 noname -0.0264 9 C8 -0.7604 2.3093 -1.3887 C.2 1 noname -0.0936 10 C9 0.1406 2.4183 0.8520 C.3 1 noname -0.0590 11 C10 -0.5185 3.0473 -2.4683 C.2 1 noname -0.0980 12 H1 2.7085 -3.8399 2.2375 H 1 noname 0.2108 13 H2 1.7421 -1.9973 -0.6101 H 1 noname 0.0295 14 H3 0.6064 -1.9707 0.8979 H 1 noname 0.0295 15 H4 2.4117 -2.4082 3.4021 H 1 noname 0.0259 16 H5 3.3648 -0.9688 2.9686 H 1 noname 0.0259 17 H6 1.5995 -0.9688 2.7412 H 1 noname 0.0259 18 H7 4.6808 -1.3515 1.5191 H 1 noname 0.0259 19 H8 4.4594 -2.3921 0.0921 H 1 noname 0.0259 20 H9 3.8153 -0.7327 0.0921 H 1 noname 0.0259 21 H10 1.2870 0.2125 1.3720 H 1 noname 0.0268 22 H11 2.4227 0.1860 -0.1359 H 1 noname 0.0268 23 H12 0.5614 0.0012 -1.5345 H 1 noname 0.0272 24 H13 -0.5743 0.0277 -0.0265 H 1 noname 0.0272 25 H14 1.2278 2.2655 -1.0274 H 1 noname 0.0343 26 H15 -1.8052 2.0732 -1.1869 H 1 noname 0.0572 27 H16 0.0503 1.5887 1.5533 H 1 noname 0.0236 28 H17 1.0035 3.0281 1.1198 H 1 noname 0.0236 29 H18 -0.7619 3.0281 0.8924 H 1 noname 0.0236 30 H19 -1.3405 3.3497 -3.1171 H 1 noname 0.0534 31 H20 0.5018 3.3497 -2.7044 H 1 noname 0.0534 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 9 11 2 11 1 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 8 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 @SUBSTRUCTURE 1 noname 1