@MOLECULE DB03775 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 0.2536 -1.3812 -0.8834 O.2 1 noname -0.2930 2 C1 0.4093 -0.2283 -0.4262 C.2 1 noname -0.0380 3 N1 1.6044 0.3399 0.1878 N.3 1 noname -0.0695 4 N2 -0.5642 0.8617 -0.3835 N.3 1 noname -0.0697 5 C2 1.6921 1.6250 -0.4967 C.3 1 noname 0.0309 6 C3 0.2387 2.0286 -0.7561 C.3 1 noname 0.0283 7 C4 2.4171 1.4434 -1.8318 C.3 1 noname -0.0357 8 C5 0.0493 2.3235 -2.2455 C.3 1 noname -0.0477 9 C6 3.8260 0.9035 -1.5777 C.3 1 noname -0.0517 10 C7 4.5509 0.7219 -2.9128 C.3 1 noname -0.0527 11 C8 5.9598 0.1820 -2.6588 C.3 1 noname -0.0439 12 C9 6.6847 0.0004 -3.9938 C.3 1 noname 0.0335 13 C10 8.0291 -0.5148 -3.7514 C.2 1 noname 0.1348 14 O2 8.7963 -0.7366 -4.7131 O.2 1 noname -0.2559 15 O3 8.4438 -0.7515 -2.4887 O.3 1 noname -0.2189 16 H1 2.2085 -0.0514 0.8963 H 1 noname 0.1327 17 H2 -1.5468 0.8190 -0.1538 H 1 noname 0.1327 18 H3 2.2413 2.3404 0.1155 H 1 noname 0.0486 19 H4 -0.0746 2.8951 -0.1738 H 1 noname 0.0483 20 H5 1.8781 0.6706 -2.3799 H 1 noname 0.0283 21 H6 2.5341 2.4371 -2.2641 H 1 noname 0.0283 22 H7 -0.0206 1.3851 -2.7956 H 1 noname 0.0247 23 H8 -0.8660 2.8977 -2.3887 H 1 noname 0.0247 24 H9 0.8997 2.8977 -2.6132 H 1 noname 0.0247 25 H10 4.3649 1.6763 -1.0296 H 1 noname 0.0267 26 H11 3.7090 -0.0902 -1.1454 H 1 noname 0.0267 27 H12 4.0119 -0.0509 -3.4609 H 1 noname 0.0267 28 H13 4.6679 1.7156 -3.3451 H 1 noname 0.0267 29 H14 6.4988 0.9548 -2.1107 H 1 noname 0.0272 30 H15 5.8428 -0.8117 -2.2265 H 1 noname 0.0272 31 H16 6.1613 -0.7777 -4.5495 H 1 noname 0.0372 32 H17 6.8172 0.9888 -4.4337 H 1 noname 0.0372 33 H18 8.4926 -1.6987 -2.3402 H 1 noname 0.2213 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 5 6 1 8 6 8 1 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 2 15 13 15 1 16 3 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 7 20 1 21 7 21 1 22 8 22 1 23 8 23 1 24 8 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 12 32 1 33 15 33 1 @SUBSTRUCTURE 1 noname 1