@MOLECULE 91810597 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 -0.8734 -1.8829 -0.2366 O.3 1 noname -0.3877 2 O2 -2.8735 -0.4816 -1.6374 O.3 1 noname -0.3855 3 O3 2.2203 -0.5397 -3.6963 O.3 1 noname -0.2133 4 O4 0.3628 0.6117 -3.1517 O.2 1 noname -0.2487 5 O5 -0.3547 2.8673 -6.2197 O.3 1 noname -0.2861 6 N1 1.8360 -1.4129 -0.9355 N.3 1 noname -0.3172 7 C1 -0.5406 -0.9336 -1.2388 C.3 1 noname 0.1088 8 C2 -1.6651 -0.8697 -2.2743 C.3 1 noname 0.1070 9 C3 0.7614 -1.3518 -1.9250 C.3 1 noname 0.1204 10 C4 -1.3229 0.1063 -3.3047 C.2 1 noname -0.0536 11 C5 -1.1085 1.4356 -2.9593 C.2 1 noname -0.0393 12 C6 -1.2114 -0.2936 -4.6313 C.2 1 noname -0.0393 13 C7 1.1037 -0.3757 -2.9555 C.2 1 noname 0.1451 14 C8 -0.7827 2.3648 -3.9403 C.2 1 noname -0.0288 15 C9 -0.8855 0.6356 -5.6123 C.2 1 noname -0.0288 16 C10 -0.6712 1.9648 -5.2668 C.2 1 noname -0.0012 17 H1 -0.4115 0.0474 -0.7815 H 1 noname 0.0653 18 H2 -1.7942 -1.8507 -2.7315 H 1 noname 0.0680 19 H3 0.6323 -2.3328 -2.3823 H 1 noname 0.0600 20 H4 -1.1903 1.7291 -1.9858 H 1 noname 0.0627 21 H5 -1.3687 -1.2690 -4.8848 H 1 noname 0.0627 22 H6 2.7057 -1.6922 -1.3939 H 1 noname 0.1192 23 H7 1.5964 -2.0961 -0.2142 H 1 noname 0.1192 24 H8 -1.7074 -1.6151 0.2030 H 1 noname 0.2106 25 H9 -3.5938 -0.4406 -2.3006 H 1 noname 0.2110 26 H10 -0.6254 3.3402 -3.6868 H 1 noname 0.0650 27 H11 -0.8037 0.3421 -6.5857 H 1 noname 0.0650 28 H12 2.2517 -0.2033 -4.6162 H 1 noname 0.2213 29 H13 -0.2387 3.7493 -5.8086 H 1 noname 0.2181 @BOND 1 7 1 1 2 1 24 1 3 8 2 1 4 2 25 1 5 3 13 1 6 3 28 1 7 4 13 2 8 5 16 1 9 5 29 1 10 9 6 1 11 6 22 1 12 6 23 1 13 7 8 1 14 7 9 1 15 7 17 1 16 8 10 1 17 8 18 1 18 9 13 1 19 9 19 1 20 10 11 2 21 10 12 1 22 11 14 1 23 11 20 1 24 12 15 2 25 12 21 1 26 14 16 2 27 14 26 1 28 15 16 1 29 15 27 1 @SUBSTRUCTURE 1 noname 1