@MOLECULE DB04634 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 -3.4355 -1.1614 -0.4930 O.2 1 noname -0.2523 2 C1 -3.0110 -2.0884 -1.2162 C.2 1 noname 0.0513 3 O2 -3.0086 -1.9500 -2.5590 O.3 1 noname -0.1973 4 N1 -2.5583 -3.2196 -0.6584 N.3 1 noname -0.0294 5 C2 -2.5264 -3.0031 -3.3805 C.3 1 noname 0.0828 6 C3 -1.9666 -3.1871 0.6210 C.3 1 noname 0.0994 7 C4 -2.6282 -2.6117 -4.7834 C.2 1 noname -0.0434 8 C5 -0.7404 -2.2724 0.5928 C.2 1 noname 0.1439 9 C6 -1.5589 -4.5359 1.0031 C.3 1 noname -0.0396 10 C7 -1.5688 -1.9572 -5.4009 C.2 1 noname -0.0497 11 C8 -3.7845 -2.8935 -5.5014 C.2 1 noname -0.0497 12 O3 -0.6919 -1.2691 1.3368 O.2 1 noname -0.2495 13 O4 0.2890 -2.5489 -0.2356 O.3 1 noname -0.2139 14 C9 -1.6657 -1.5845 -6.7365 C.2 1 noname -0.0585 15 C10 -3.8815 -2.5208 -6.8370 C.2 1 noname -0.0585 16 C11 -2.8220 -1.8663 -7.4546 C.2 1 noname -0.0611 17 H1 -2.6602 -4.0735 -1.1880 H 1 noname 0.1343 18 H2 -1.4662 -3.1094 -3.1506 H 1 noname 0.0625 19 H3 -3.2037 -3.8436 -3.2294 H 1 noname 0.0625 20 H4 -2.7394 -2.8410 1.3074 H 1 noname 0.0576 21 H5 -1.5352 -4.6142 2.0900 H 1 noname 0.0252 22 H6 -2.2704 -5.2578 0.6022 H 1 noname 0.0252 23 H7 -0.5666 -4.7428 0.6022 H 1 noname 0.0252 24 H8 -0.6620 -1.7362 -4.8379 H 1 noname 0.0626 25 H9 -4.6153 -3.4067 -5.0171 H 1 noname 0.0626 26 H10 1.0694 -2.7585 0.2826 H 1 noname 0.2213 27 H11 -0.8350 -1.0713 -7.2208 H 1 noname 0.0622 28 H12 -4.7882 -2.7418 -7.4000 H 1 noname 0.0622 29 H13 -2.8981 -1.5741 -8.5019 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 6 4 1 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 7 11 1 11 8 12 2 12 8 13 1 13 10 14 1 14 11 15 2 15 14 16 2 16 15 16 1 17 4 17 1 18 5 18 1 19 5 19 1 20 6 20 1 21 9 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 11 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1