@MOLECULE 92938981 46 46 1 SMALL USER_CHARGES @ATOM 1 O1 -0.2292 5.3546 -2.1525 O.3 1 noname -0.2060 2 O2 -0.9408 5.0475 -6.6398 O.3 1 noname -0.2060 3 O3 -1.5650 3.6426 -1.5548 O.2 1 noname -0.2527 4 O4 -0.3680 2.8796 -6.8511 O.2 1 noname -0.2527 5 C1 -1.4702 4.1298 -3.8510 C.3 1 noname 0.0609 6 C2 -0.1873 3.7935 -4.6944 C.3 1 noname 0.0609 7 C3 -2.5380 2.9937 -3.9162 C.3 1 noname -0.0220 8 C4 0.3908 2.3770 -4.3767 C.3 1 noname -0.0220 9 C5 -1.9292 1.6778 -3.7346 C.2 1 noname -0.0876 10 C6 -0.6238 1.4086 -3.9530 C.2 1 noname -0.0876 11 C7 -1.0913 4.3623 -2.4604 C.2 1 noname 0.1421 12 C8 -0.5030 3.8824 -6.1171 C.2 1 noname 0.1421 13 C9 0.6220 5.2305 -1.0228 C.3 1 noname 0.0564 14 C10 -1.8180 5.0397 -7.7565 C.3 1 noname 0.0564 15 C11 2.0822 5.2988 -1.4744 C.3 1 noname -0.0292 16 C12 -3.1280 5.7352 -7.3809 C.3 1 noname -0.0292 17 C13 2.9994 5.1652 -0.2571 C.3 1 noname -0.0539 18 C14 -4.0731 5.7267 -8.5840 C.3 1 noname -0.0539 19 C15 4.4596 5.2334 -0.7088 C.3 1 noname -0.0653 20 C16 -5.3831 6.4222 -8.2084 C.3 1 noname -0.0653 21 H1 -1.9243 5.0533 -4.2104 H 1 noname 0.0420 22 H2 0.5765 4.5543 -4.5337 H 1 noname 0.0420 23 H3 -3.2892 3.1563 -3.1433 H 1 noname 0.0318 24 H4 -3.0611 2.9772 -4.8724 H 1 noname 0.0318 25 H5 0.9155 1.9940 -5.2521 H 1 noname 0.0318 26 H6 1.1276 2.4233 -3.5748 H 1 noname 0.0318 27 H7 -2.5109 0.9360 -3.4322 H 1 noname 0.0572 28 H8 -0.3263 0.4746 -3.8146 H 1 noname 0.0572 29 H9 0.4194 6.0424 -0.3243 H 1 noname 0.0573 30 H10 0.4377 4.2748 -0.5322 H 1 noname 0.0573 31 H11 -2.0241 4.0102 -8.0493 H 1 noname 0.0573 32 H12 -1.3518 5.5676 -8.5884 H 1 noname 0.0573 33 H13 2.2665 6.2546 -1.9650 H 1 noname 0.0290 34 H14 2.2848 4.4869 -2.1729 H 1 noname 0.0290 35 H15 -3.5941 5.2072 -6.5490 H 1 noname 0.0290 36 H16 -2.9218 6.7647 -7.0881 H 1 noname 0.0290 37 H17 2.7968 5.9771 0.4413 H 1 noname 0.0264 38 H18 2.8151 4.2094 0.2334 H 1 noname 0.0264 39 H19 -4.2793 4.6972 -8.8768 H 1 noname 0.0264 40 H20 -3.6070 6.2546 -9.4160 H 1 noname 0.0264 41 H21 5.1130 5.1382 0.1584 H 1 noname 0.0230 42 H22 4.6439 6.1892 -1.1994 H 1 noname 0.0230 43 H23 4.6622 4.4215 -1.4073 H 1 noname 0.0230 44 H24 -6.0564 6.4161 -9.0656 H 1 noname 0.0230 45 H25 -5.8492 5.8942 -7.3765 H 1 noname 0.0230 46 H26 -5.1769 7.4517 -7.9156 H 1 noname 0.0230 @BOND 1 1 11 1 2 1 13 1 3 2 12 1 4 2 14 1 5 3 11 2 6 4 12 2 7 5 6 1 8 5 7 1 9 5 11 1 10 5 21 1 11 6 8 1 12 6 12 1 13 6 22 1 14 7 9 1 15 7 23 1 16 7 24 1 17 8 10 1 18 8 25 1 19 8 26 1 20 9 10 2 21 9 27 1 22 10 28 1 23 13 15 1 24 13 29 1 25 13 30 1 26 14 16 1 27 14 31 1 28 14 32 1 29 15 17 1 30 15 33 1 31 15 34 1 32 16 18 1 33 16 35 1 34 16 36 1 35 17 19 1 36 17 37 1 37 17 38 1 38 18 20 1 39 18 39 1 40 18 40 1 41 19 41 1 42 19 42 1 43 19 43 1 44 20 44 1 45 20 45 1 46 20 46 1 @SUBSTRUCTURE 1 noname 1