@MOLECULE 70017354 45 46 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.7431 3.4792 2.8694 Cl 1 noname -0.0856 2 N1 -0.4478 -0.1267 -2.9885 N.3 1 noname -0.3054 3 C1 -0.8141 -0.9391 -0.4630 C.3 1 noname 0.0297 4 C2 -0.8719 -2.2429 0.3843 C.3 1 noname -0.0420 5 C3 -2.3620 -1.0342 -0.5355 C.3 1 noname -0.0420 6 C4 -0.1621 -1.1431 -1.9141 C.3 1 noname 0.0189 7 C5 -2.3946 -2.3499 0.2536 C.3 1 noname -0.0515 8 C6 -0.2845 0.2099 0.3974 C.2 1 noname -0.0487 9 C7 1.2418 -1.8326 -2.0687 C.3 1 noname -0.0344 10 C8 2.4523 -1.7189 -1.1077 C.3 1 noname -0.0456 11 C9 0.9289 0.8447 0.0490 C.2 1 noname -0.0488 12 C10 -0.9128 0.7269 1.5745 C.2 1 noname -0.0488 13 C11 -0.2524 1.3282 -2.9024 C.3 1 noname -0.0133 14 C12 -1.7490 -0.4088 -3.5925 C.3 1 noname -0.0133 15 C13 3.6131 -2.5563 -1.6483 C.3 1 noname -0.0627 16 C14 2.0541 -2.2332 0.2772 C.3 1 noname -0.0627 17 C15 1.5653 1.8200 0.8127 C.2 1 noname -0.0268 18 C16 -0.3212 1.7693 2.3324 C.2 1 noname -0.0268 19 C17 0.9508 2.2882 1.9682 C.2 1 noname -0.0172 20 H1 -2.8034 -0.2391 0.0655 H 1 noname 0.0276 21 H2 -2.7205 -1.1570 -1.5575 H 1 noname 0.0276 22 H3 -0.6110 -2.0162 1.4181 H 1 noname 0.0276 23 H4 -0.4378 -3.1078 -0.1172 H 1 noname 0.0276 24 H5 -0.7227 -1.9697 -2.3601 H 1 noname 0.0476 25 H6 -2.8557 -2.1789 1.2264 H 1 noname 0.0267 26 H7 -2.7165 -3.2026 -0.3442 H 1 noname 0.0267 27 H8 1.1050 -2.8743 -2.3590 H 1 noname 0.0285 28 H9 1.6234 -1.4387 -3.0107 H 1 noname 0.0285 29 H10 2.7604 -0.6761 -1.0333 H 1 noname 0.0297 30 H11 1.3788 0.6457 -0.8140 H 1 noname 0.0626 31 H12 -1.8203 0.3632 1.8738 H 1 noname 0.0626 32 H13 -0.5506 1.7911 -3.8431 H 1 noname 0.0394 33 H14 -0.8604 1.7291 -2.0915 H 1 noname 0.0394 34 H15 0.7986 1.5428 -2.7089 H 1 noname 0.0394 35 H16 -1.9558 0.3267 -4.3700 H 1 noname 0.0394 36 H17 -2.5237 -0.3564 -2.8276 H 1 noname 0.0394 37 H18 -1.7376 -1.4069 -4.0304 H 1 noname 0.0394 38 H19 4.4645 -2.4764 -0.9724 H 1 noname 0.0233 39 H20 2.9055 -2.1532 0.9531 H 1 noname 0.0233 40 H21 1.2272 -1.6366 0.6623 H 1 noname 0.0233 41 H22 1.7460 -3.2761 0.2027 H 1 noname 0.0233 42 H23 3.3050 -3.5992 -1.7228 H 1 noname 0.0233 43 H24 3.8968 -2.1900 -2.6349 H 1 noname 0.0233 44 H25 2.4773 2.1863 0.5367 H 1 noname 0.0638 45 H26 -0.8052 2.1207 3.1719 H 1 noname 0.0638 @BOND 1 1 19 1 2 6 2 1 3 2 13 1 4 2 14 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 8 1 9 4 7 1 10 4 22 1 11 4 23 1 12 5 7 1 13 5 20 1 14 5 21 1 15 6 9 1 16 6 24 1 17 7 25 1 18 7 26 1 19 8 11 2 20 8 12 1 21 9 10 1 22 9 27 1 23 9 28 1 24 10 15 1 25 10 16 1 26 10 29 1 27 11 17 1 28 11 30 1 29 12 18 2 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1 34 14 35 1 35 14 36 1 36 14 37 1 37 15 38 1 38 15 42 1 39 15 43 1 40 16 39 1 41 16 40 1 42 16 41 1 43 17 19 2 44 17 44 1 45 18 19 1 46 18 45 1 @SUBSTRUCTURE 1 noname 1