@MOLECULE DB01751 30 31 1 SMALL USER_CHARGES @ATOM 1 I1 0.0322 -1.1209 2.0286 I 1 noname -0.0413 2 C1 0.2284 0.0178 0.3353 C.2 1 noname 0.0192 3 C2 1.2524 -0.2481 -0.5663 C.2 1 noname 0.0517 4 C3 -0.6626 1.0558 0.0886 C.2 1 noname -0.0159 5 O1 2.1177 -1.2563 -0.3268 O.3 1 noname -0.1945 6 C4 1.3854 0.5240 -1.7144 C.2 1 noname 0.0192 7 C5 -0.5296 1.8279 -1.0595 C.2 1 noname -0.0426 8 C6 3.1679 -0.7892 0.3814 C.2 1 noname 0.0056 9 I2 2.8957 0.1318 -3.0441 I 1 noname -0.0413 10 C7 0.4945 1.5620 -1.9611 C.2 1 noname -0.0159 11 C8 -1.4654 2.9182 -1.3185 C.3 1 noname 0.0587 12 C9 4.1959 -1.6494 0.7492 C.2 1 noname 0.0131 13 C10 3.2212 0.5520 0.7427 C.2 1 noname 0.0131 14 C11 -0.9536 4.1501 -0.7254 C.2 1 noname 0.1371 15 C12 5.2772 -1.1685 1.4784 C.2 1 noname 0.0205 16 C13 4.3025 1.0329 1.4718 C.2 1 noname 0.0205 17 O2 -0.7190 5.1419 -1.4492 O.2 1 noname -0.2544 18 O3 -0.7336 4.2182 0.6048 O.3 1 noname -0.2177 19 I3 6.7932 -2.4373 2.0209 I 1 noname -0.0413 20 C14 5.3305 0.1726 1.8397 C.2 1 noname 0.0393 21 I4 4.3811 3.0109 2.0047 I 1 noname -0.0413 22 O4 6.3806 0.6397 2.5478 O.3 1 noname -0.2754 23 H1 -1.4656 1.2643 0.7956 H 1 noname 0.0637 24 H2 0.5988 2.1674 -2.8614 H 1 noname 0.0637 25 H3 -1.4797 3.0708 -2.3977 H 1 noname 0.0422 26 H4 -2.3871 2.6739 -0.7904 H 1 noname 0.0422 27 H5 4.1541 -2.7012 0.4659 H 1 noname 0.0662 28 H6 2.4151 1.2266 0.4542 H 1 noname 0.0662 29 H7 -0.6741 3.3304 0.9652 H 1 noname 0.2213 30 H8 6.1958 0.5575 3.4863 H 1 noname 0.2182 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 8 12 2 13 8 13 1 14 11 14 1 15 12 15 1 16 13 16 2 17 14 17 2 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 1 22 16 20 1 23 20 22 1 24 4 23 1 25 10 24 1 26 11 25 1 27 11 26 1 28 12 27 1 29 13 28 1 30 18 29 1 31 22 30 1 @SUBSTRUCTURE 1 noname 1