@MOLECULE 57465308 43 46 1 SMALL USER_CHARGES @ATOM 1 O1 0.6608 4.3150 10.4730 O.3 1 noname -0.2450 2 O2 -1.8426 5.3047 -0.5121 O.3 1 noname -0.2450 3 O3 2.5716 5.4101 9.5318 O.3 1 noname -0.2453 4 O4 -0.4908 3.6707 -1.6238 O.3 1 noname -0.2453 5 O5 2.6942 1.2842 4.3472 O.3 1 noname -0.3949 6 N1 -0.6640 3.1813 4.5481 N.3 1 noname -0.2925 7 C1 -1.8547 2.7900 3.7547 C.3 1 noname 0.0239 8 C2 -1.1925 3.2812 5.9417 C.3 1 noname 0.0239 9 C3 0.4680 2.2225 4.3027 C.3 1 noname 0.0222 10 C4 -1.6475 2.8832 2.2886 C.2 1 noname -0.0481 11 C5 -0.3241 4.0081 6.9026 C.2 1 noname -0.0481 12 C6 1.9225 2.3984 4.7709 C.3 1 noname 0.0559 13 C7 -2.0305 4.0535 1.5955 C.2 1 noname -0.0102 14 C8 -0.3986 3.7950 8.3052 C.2 1 noname -0.0102 15 C9 0.6927 4.8614 6.3972 C.2 1 noname -0.0523 16 C10 -0.8717 1.9131 1.5973 C.2 1 noname -0.0523 17 C11 -1.5949 4.2476 0.2743 C.2 1 noname 0.0326 18 C12 0.5933 4.3494 9.1354 C.2 1 noname 0.0326 19 C13 -0.7971 3.3138 -0.3671 C.2 1 noname 0.0307 20 C14 1.6904 4.9901 8.6012 C.2 1 noname 0.0307 21 C15 1.7842 5.1925 7.2170 C.2 1 noname -0.0161 22 C16 -0.4166 2.1406 0.2919 C.2 1 noname -0.0161 23 C17 -1.4017 4.7736 -1.7754 C.3 1 noname 0.1587 24 C18 1.8442 5.0948 10.7304 C.3 1 noname 0.1587 25 H1 -2.1799 3.7425 5.9236 H 1 noname 0.0481 26 H2 -1.3785 2.2886 6.3519 H 1 noname 0.0481 27 H3 -2.7030 3.4114 4.0420 H 1 noname 0.0481 28 H4 -2.0205 1.7425 4.0062 H 1 noname 0.0481 29 H5 0.1371 1.2067 4.5187 H 1 noname 0.0454 30 H6 0.5653 2.2013 3.2172 H 1 noname 0.0454 31 H7 -1.1347 3.2187 8.7388 H 1 noname 0.0654 32 H8 -2.5480 4.8080 2.0415 H 1 noname 0.0654 33 H9 1.9485 2.4659 5.8585 H 1 noname 0.0576 34 H10 2.3350 3.3109 4.3403 H 1 noname 0.0576 35 H11 -0.5093 1.0746 2.0466 H 1 noname 0.0626 36 H12 0.7333 5.1307 5.4039 H 1 noname 0.0626 37 H13 2.6116 5.6086 6.8120 H 1 noname 0.0651 38 H14 0.2161 1.4772 -0.1504 H 1 noname 0.0651 39 H15 1.5675 6.0174 11.2407 H 1 noname 0.0892 40 H16 2.4913 4.5729 11.4353 H 1 noname 0.0892 41 H17 -2.2664 4.4534 -2.3566 H 1 noname 0.0892 42 H18 -0.9424 5.5604 -2.3738 H 1 noname 0.0892 43 H19 3.6209 1.3963 4.6455 H 1 noname 0.2100 @BOND 1 1 18 1 2 1 24 1 3 2 17 1 4 2 23 1 5 3 20 1 6 3 24 1 7 4 19 1 8 4 23 1 9 5 12 1 10 5 43 1 11 6 7 1 12 6 8 1 13 6 9 1 14 7 10 1 15 7 27 1 16 7 28 1 17 8 11 1 18 8 25 1 19 8 26 1 20 9 12 1 21 9 29 1 22 9 30 1 23 10 13 2 24 10 16 1 25 11 14 2 26 11 15 1 27 12 33 1 28 12 34 1 29 13 17 1 30 13 32 1 31 14 18 1 32 14 31 1 33 15 21 2 34 15 36 1 35 16 22 2 36 16 35 1 37 17 19 2 38 18 20 2 39 19 22 1 40 20 21 1 41 21 37 1 42 22 38 1 43 23 41 1 44 23 42 1 45 24 39 1 46 24 40 1 @SUBSTRUCTURE 1 noname 1