@MOLECULE 76970353 56 56 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.2130 1.6820 0.0156 Cl 1 noname -0.1252 2 Cl2 1.3190 -7.9699 -4.8753 Cl 1 noname -0.1240 3 Cl3 5.3042 -3.4084 -0.0700 Cl 1 noname -0.1240 4 P1 1.5177 -5.6344 -0.3447 P 1 noname 0.0242 5 O1 0.2932 -4.7879 -0.7395 O.3 1 noname -0.1517 6 O2 1.4370 -7.0078 -1.0367 O.3 1 noname -0.1518 7 O3 2.8046 -4.9123 -0.7855 O.3 1 noname -0.1518 8 O4 1.5349 -5.8168 1.0836 O.2 1 noname -0.1940 9 O5 7.8433 0.6084 -4.3317 O.3 1 noname -0.2189 10 O6 6.2242 -0.9435 -4.1257 O.2 1 noname -0.2559 11 N1 -0.7750 -1.4231 0.1399 N.3 1 noname -0.1331 12 C1 -0.8489 -2.6806 -0.4936 C.3 1 noname 0.0277 13 C2 0.3447 -0.7949 -0.2436 C.2 1 noname -0.0338 14 C3 -1.8961 -0.6482 -0.2215 C.3 1 noname 0.0168 15 C4 2.6677 0.5086 -1.0394 C.2 1 noname -0.0849 16 C5 3.8877 1.1932 -1.4573 C.3 1 noname -0.0274 17 C6 0.3677 -3.5215 -0.1015 C.3 1 noname 0.0756 18 C7 4.6598 0.3069 -2.4367 C.3 1 noname -0.0399 19 C8 1.5204 -0.9675 0.4775 C.2 1 noname -0.0662 20 C9 0.3305 0.0295 -1.3627 C.2 1 noname -0.0662 21 C10 2.6819 -0.3158 0.0797 C.2 1 noname -0.0600 22 C11 1.4920 0.6813 -1.7606 C.2 1 noname -0.0600 23 C12 -1.8159 0.7163 0.4659 C.3 1 noname 0.0355 24 C13 5.9383 1.0243 -2.8746 C.3 1 noname 0.0338 25 C14 6.6751 0.1786 -3.8092 C.2 1 noname 0.1348 26 C15 1.4201 -6.8279 -2.4452 C.3 1 noname 0.0760 27 C16 3.9336 -5.6928 -0.4216 C.3 1 noname 0.0760 28 C17 1.3399 -8.1924 -3.1326 C.3 1 noname 0.0468 29 C18 5.2121 -4.9754 -0.8595 C.3 1 noname 0.0468 30 H1 -1.7597 -3.1917 -0.1816 H 1 noname 0.0459 31 H2 -0.8619 -2.5426 -1.5748 H 1 noname 0.0459 32 H3 -2.8069 -1.1592 0.0905 H 1 noname 0.0447 33 H4 -1.9091 -0.5101 -1.3027 H 1 noname 0.0447 34 H5 3.6282 2.1330 -1.9447 H 1 noname 0.0316 35 H6 4.5079 1.3958 -0.5841 H 1 noname 0.0316 36 H7 0.3806 -3.6596 0.9797 H 1 noname 0.0590 37 H8 1.2785 -3.0105 -0.4134 H 1 noname 0.0590 38 H9 4.0396 0.1042 -3.3098 H 1 noname 0.0275 39 H10 4.9193 -0.6329 -1.9493 H 1 noname 0.0275 40 H11 1.5308 -1.5725 1.2987 H 1 noname 0.0639 41 H12 -0.5322 0.1562 -1.8919 H 1 noname 0.0639 42 H13 3.5446 -0.4425 0.6089 H 1 noname 0.0626 43 H14 1.4816 1.2862 -2.5817 H 1 noname 0.0626 44 H15 -1.8029 0.5783 1.5471 H 1 noname 0.0448 45 H16 -0.9051 1.2274 0.1539 H 1 noname 0.0448 46 H17 5.6788 1.9641 -3.3620 H 1 noname 0.0372 47 H18 6.5585 1.2269 -2.0015 H 1 noname 0.0372 48 H19 0.5534 -6.2288 -2.7246 H 1 noname 0.0589 49 H20 2.3309 -6.3169 -2.7572 H 1 noname 0.0589 50 H21 3.8765 -6.6649 -0.9113 H 1 noname 0.0589 51 H22 3.9466 -5.8308 0.6596 H 1 noname 0.0589 52 H23 0.4291 -8.7035 -2.8206 H 1 noname 0.0459 53 H24 2.2066 -8.7915 -2.8532 H 1 noname 0.0459 54 H25 5.1991 -4.8373 -1.9406 H 1 noname 0.0459 55 H26 6.0788 -5.5745 -0.5801 H 1 noname 0.0459 56 H27 8.1187 0.3135 -5.2247 H 1 noname 0.2213 @BOND 1 1 23 1 2 2 28 1 3 3 29 1 4 4 5 1 5 4 6 1 6 4 7 1 7 4 8 2 8 5 17 1 9 6 26 1 10 7 27 1 11 9 25 1 12 9 56 1 13 10 25 2 14 11 12 1 15 11 13 1 16 11 14 1 17 12 17 1 18 12 30 1 19 12 31 1 20 13 19 2 21 13 20 1 22 14 23 1 23 14 32 1 24 14 33 1 25 15 16 1 26 15 21 2 27 15 22 1 28 16 18 1 29 16 34 1 30 16 35 1 31 17 36 1 32 17 37 1 33 18 24 1 34 18 38 1 35 18 39 1 36 19 21 1 37 19 40 1 38 20 22 2 39 20 41 1 40 21 42 1 41 22 43 1 42 23 44 1 43 23 45 1 44 24 25 1 45 24 46 1 46 24 47 1 47 26 28 1 48 26 48 1 49 26 49 1 50 27 29 1 51 27 50 1 52 27 51 1 53 28 52 1 54 28 53 1 55 29 54 1 56 29 55 1 @SUBSTRUCTURE 1 noname 1