@MOLECULE 76959171 40 41 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.9596 -3.3016 -0.2407 Cl 1 noname -0.0733 2 Cl2 3.3626 -0.9376 -4.4273 Cl 1 noname -0.0839 3 O1 -0.8207 -3.2173 0.3139 O.2 1 noname -0.2755 4 N1 -3.9819 -2.8775 2.7463 N.3 1 noname -0.3001 5 N2 -1.6020 -2.1506 -1.5765 N.3 1 noname -0.1322 6 C1 -4.4899 -4.2272 2.2555 C.3 1 noname -0.0015 7 C2 -4.1568 -2.6175 4.2368 C.3 1 noname -0.0015 8 C3 -2.7111 -2.3548 2.0742 C.3 1 noname 0.0150 9 C4 -4.7504 -3.7307 5.1614 C.3 1 noname -0.0403 10 C5 -4.1315 -5.4381 3.1731 C.3 1 noname -0.0403 11 C6 -4.4957 -5.1914 4.6741 C.3 1 noname -0.0509 12 C7 -2.9540 -2.1136 0.5562 C.3 1 noname 0.0369 13 C8 -2.1033 -0.9955 2.5337 C.3 1 noname -0.0490 14 C9 -1.7172 -2.5372 -0.2304 C.2 1 noname 0.1304 15 C10 -0.4030 -2.0120 -2.2114 C.2 1 noname 0.0127 16 C11 0.8823 -2.4267 -1.6810 C.2 1 noname 0.0196 17 C12 -0.5005 -1.3167 -3.4571 C.2 1 noname -0.0176 18 C13 2.0791 -2.0935 -2.3788 C.2 1 noname 0.0116 19 C14 0.6932 -0.9790 -4.1634 C.2 1 noname -0.0184 20 C15 1.9544 -1.3648 -3.6023 C.2 1 noname -0.0054 21 H1 -4.7122 -1.6908 4.3812 H 1 noname 0.0430 22 H2 -3.1516 -2.3815 4.5860 H 1 noname 0.0430 23 H3 -5.5705 -4.1814 2.1200 H 1 noname 0.0430 24 H4 -4.0751 -4.4276 1.2677 H 1 noname 0.0430 25 H5 -1.9270 -3.0975 2.2690 H 1 noname 0.0469 26 H6 -4.6470 -6.3297 2.8159 H 1 noname 0.0279 27 H7 -3.0483 -5.5516 3.1300 H 1 noname 0.0279 28 H8 -5.8217 -3.5695 5.2822 H 1 noname 0.0279 29 H9 -4.3524 -3.6123 6.1692 H 1 noname 0.0279 30 H10 -5.3426 -5.8195 4.9504 H 1 noname 0.0267 31 H11 -3.6386 -5.5740 5.2281 H 1 noname 0.0267 32 H12 -3.8120 -2.7002 0.2278 H 1 noname 0.0377 33 H13 -3.2371 -1.0859 0.3287 H 1 noname 0.0377 34 H14 -1.2074 -0.7824 1.9505 H 1 noname 0.0246 35 H15 -2.8336 -0.2009 2.3813 H 1 noname 0.0246 36 H16 -1.8436 -1.0525 3.5908 H 1 noname 0.0246 37 H17 -2.4135 -1.9740 -2.0777 H 1 noname 0.1371 38 H18 -1.4131 -1.0648 -3.8369 H 1 noname 0.0640 39 H19 2.9934 -2.3655 -2.0176 H 1 noname 0.0654 40 H20 0.6496 -0.4738 -5.0484 H 1 noname 0.0638 @BOND 1 1 16 1 2 2 20 1 3 3 14 2 4 4 6 1 5 4 7 1 6 4 8 1 7 5 14 1 8 5 15 1 9 5 37 1 10 6 10 1 11 6 23 1 12 6 24 1 13 7 9 1 14 7 21 1 15 7 22 1 16 8 12 1 17 8 13 1 18 8 25 1 19 9 11 1 20 9 28 1 21 9 29 1 22 10 11 1 23 10 26 1 24 10 27 1 25 11 30 1 26 11 31 1 27 12 14 1 28 12 32 1 29 12 33 1 30 13 34 1 31 13 35 1 32 13 36 1 33 15 16 2 34 15 17 1 35 16 18 1 36 17 19 2 37 17 38 1 38 18 20 2 39 18 39 1 40 19 20 1 41 19 40 1 @SUBSTRUCTURE 1 noname 1