@MOLECULE 112500473 28 29 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.7926 -3.9962 0.1570 Cl 1 noname -0.0826 2 Cl2 1.7091 -2.5922 0.2052 Cl 1 noname -0.0826 3 Cl3 -0.1534 -2.2794 2.3651 Cl 1 noname -0.0826 4 Cl4 -2.6060 -1.6263 -2.2953 Cl 1 noname -0.0823 5 Cl5 -0.3454 2.6364 3.1217 Cl 1 noname -0.0842 6 C1 -0.6115 -1.3797 -0.0658 C.3 1 noname 0.0637 7 C2 0.0525 -0.1402 0.3272 C.2 1 noname -0.0394 8 C3 -2.0941 -1.3034 0.3041 C.2 1 noname -0.0166 9 C4 0.0065 -2.5047 0.6300 C.3 1 noname 0.2010 10 C5 -0.4128 0.5810 1.4206 C.2 1 noname -0.0190 11 C6 1.1501 0.3185 -0.3919 C.2 1 noname -0.0494 12 C7 -3.0639 -1.4113 -0.6859 C.2 1 noname -0.0071 13 C8 -2.4714 -1.1263 1.6301 C.2 1 noname -0.0453 14 C9 0.2194 1.7610 1.7948 C.2 1 noname -0.0107 15 C10 1.7822 1.4985 -0.0177 C.2 1 noname -0.0492 16 C11 -4.4108 -1.3420 -0.3498 C.2 1 noname -0.0261 17 C12 -3.8184 -1.0570 1.9662 C.2 1 noname -0.0566 18 C13 1.3169 2.2198 1.0756 C.2 1 noname -0.0264 19 C14 -4.7881 -1.1648 0.9762 C.2 1 noname -0.0527 20 H1 -0.5123 -1.5194 -1.1423 H 1 noname 0.0446 21 H2 -1.2182 0.2444 1.9482 H 1 noname 0.0641 22 H3 1.4915 -0.2108 -1.1942 H 1 noname 0.0625 23 H4 -1.7598 -1.0471 2.3566 H 1 noname 0.0626 24 H5 2.5876 1.8351 -0.5454 H 1 noname 0.0623 25 H6 -5.1225 -1.4211 -1.0763 H 1 noname 0.0638 26 H7 -4.0952 -0.9270 2.9393 H 1 noname 0.0622 27 H8 1.7808 3.0857 1.3502 H 1 noname 0.0638 28 H9 -5.7765 -1.1140 1.2228 H 1 noname 0.0623 @BOND 1 1 9 1 2 2 9 1 3 3 9 1 4 4 12 1 5 5 14 1 6 6 7 1 7 6 8 1 8 6 9 1 9 6 20 1 10 7 10 2 11 7 11 1 12 8 12 1 13 8 13 2 14 10 14 1 15 10 21 1 16 11 15 2 17 11 22 1 18 12 16 2 19 13 17 1 20 13 23 1 21 14 18 2 22 15 18 1 23 15 24 1 24 16 19 1 25 16 25 1 26 17 19 2 27 17 26 1 28 18 27 1 29 19 28 1 @SUBSTRUCTURE 1 noname 1