@MOLECULE DB07424 40 41 1 SMALL USER_CHARGES @ATOM 1 S1 -0.6639 6.7732 -0.2346 S 1 noname -0.1432 2 O1 -1.5324 7.7563 -1.1331 O.2 1 noname -0.3216 3 O2 -0.4162 7.4362 1.1892 O.2 1 noname -0.3216 4 O3 -1.4893 5.3114 -0.0394 O.3 1 noname -0.3216 5 C1 0.9179 6.4666 -1.0371 C.3 1 noname 0.0793 6 P1 0.6649 5.7031 -2.4777 P 1 noname -0.3301 7 C2 1.7837 5.5832 -0.1367 C.3 1 noname -0.0424 8 O4 -0.1501 6.5346 -3.3251 O.2 1 noname -0.5636 9 O5 -0.0530 4.3634 -2.2295 O.3 1 noname -0.5636 10 O6 2.0182 5.4408 -3.1643 O.3 1 noname -0.5636 11 C3 3.1283 5.3226 -0.8188 C.3 1 noname -0.0489 12 C4 3.9942 4.4391 0.0815 C.3 1 noname 0.0055 13 C5 5.2772 4.1904 -0.5694 C.2 1 noname -0.0559 14 C6 6.3446 5.0545 -0.3544 C.2 1 noname -0.0605 15 C7 5.4312 3.0897 -1.4041 C.2 1 noname -0.0605 16 C8 7.5660 4.8177 -0.9741 C.2 1 noname -0.0486 17 C9 6.6527 2.8529 -2.0238 C.2 1 noname -0.0486 18 C10 7.7201 3.7170 -1.8088 C.2 1 noname -0.0486 19 C11 8.9416 3.4802 -2.4285 C.2 1 noname -0.0410 20 C12 9.0957 2.3794 -3.2632 C.2 1 noname -0.0482 21 C13 10.0090 4.3442 -2.2135 C.2 1 noname -0.0482 22 C14 10.3172 2.1427 -3.8829 C.2 1 noname -0.0577 23 C15 11.2305 4.1075 -2.8332 C.2 1 noname -0.0577 24 C16 11.3846 3.0067 -3.6679 C.2 1 noname -0.0612 25 H1 1.5485 7.3392 -1.2077 H 1 noname 0.0378 26 H2 1.9942 6.1614 0.7630 H 1 noname 0.0270 27 H3 1.2780 4.6206 -0.0601 H 1 noname 0.0270 28 H4 2.9178 4.7444 -1.7186 H 1 noname 0.0270 29 H5 3.6340 6.2851 -0.8955 H 1 noname 0.0270 30 H6 4.2206 5.0092 0.9825 H 1 noname 0.0316 31 H7 3.5044 3.4684 0.1594 H 1 noname 0.0316 32 H8 6.2237 5.9177 0.3001 H 1 noname 0.0625 33 H9 4.5942 2.4121 -1.5727 H 1 noname 0.0625 34 H10 8.4031 5.4953 -0.8056 H 1 noname 0.0629 35 H11 6.7736 1.9897 -2.6783 H 1 noname 0.0629 36 H12 8.2587 1.7019 -3.4317 H 1 noname 0.0629 37 H13 9.8882 5.2074 -1.5590 H 1 noname 0.0629 38 H14 10.4380 1.2795 -4.5374 H 1 noname 0.0622 39 H15 12.0675 4.7850 -2.6647 H 1 noname 0.0622 40 H16 12.3424 2.8211 -4.1538 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 5 1 1 5 5 6 1 6 5 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 1 11 11 12 1 12 12 13 1 13 13 14 2 14 13 15 1 15 14 16 1 16 15 17 2 17 16 18 2 18 17 18 1 19 18 19 1 20 19 20 2 21 19 21 1 22 20 22 1 23 21 23 2 24 22 24 2 25 23 24 1 26 5 25 1 27 7 26 1 28 7 27 1 29 11 28 1 30 11 29 1 31 12 30 1 32 12 31 1 33 14 32 1 34 15 33 1 35 16 34 1 36 17 35 1 37 20 36 1 38 21 37 1 39 22 38 1 40 23 39 1 41 24 40 1 @SUBSTRUCTURE 1 noname 1