@MOLECULE DB01656 40 42 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.0832 0.5937 -1.3712 Cl 1 noname -0.0627 2 C1 0.2453 -0.8630 -1.5187 C.2 1 noname 0.0509 3 C2 0.8042 -2.0903 -1.0245 C.2 1 noname 0.0563 4 C3 -1.0467 -0.9119 -2.1418 C.2 1 noname 0.0336 5 N1 2.0095 -2.0666 -0.4394 N.3 1 noname -0.1236 6 C4 0.1100 -3.3412 -1.1389 C.2 1 noname 0.0509 7 N2 -1.6976 -2.1323 -2.2404 N.2 1 noname -0.2405 8 C5 2.9181 -1.1555 -0.8134 C.2 1 noname 0.0862 9 Cl2 0.7854 -4.7711 -0.5512 Cl 1 noname -0.0627 10 C6 -1.1761 -3.3333 -1.7692 C.2 1 noname 0.0336 11 O1 2.6413 -0.3275 -1.7080 O.2 1 noname -0.2773 12 C7 4.1683 -1.1309 -0.2064 C.2 1 noname -0.0090 13 C8 5.1108 -0.1858 -0.5943 C.2 1 noname 0.0281 14 C9 4.4760 -2.0516 0.7885 C.2 1 noname -0.0115 15 C10 6.3610 -0.1612 0.0127 C.2 1 noname 0.0478 16 C11 5.7263 -2.0270 1.3955 C.2 1 noname -0.0002 17 O2 7.2764 0.7567 -0.3641 O.3 1 noname -0.2625 18 C12 6.6688 -1.0819 1.0076 C.2 1 noname 0.0495 19 C13 7.1307 1.9243 0.4308 C.3 1 noname 0.0563 20 O3 7.8830 -1.0581 1.5971 O.3 1 noname -0.2200 21 C14 8.1681 2.9647 0.0038 C.3 1 noname -0.0173 22 C15 8.7754 -1.8955 0.8768 C.3 1 noname 0.3497 23 C16 8.0111 4.2228 0.8603 C.3 1 noname -0.0479 24 C17 9.1333 3.2274 1.1615 C.3 1 noname -0.0479 25 F1 10.0085 -1.8713 1.4755 F 1 noname -0.1785 26 F2 8.8847 -1.4443 -0.4132 F 1 noname -0.1785 27 H1 -1.5337 -0.0218 -2.5401 H 1 noname 0.0855 28 H2 2.2331 -2.7356 0.2835 H 1 noname 0.1375 29 H3 -1.7605 -4.2453 -1.8909 H 1 noname 0.0855 30 H4 4.8695 0.5362 -1.3745 H 1 noname 0.0659 31 H5 3.7370 -2.7927 1.0927 H 1 noname 0.0631 32 H6 5.9676 -2.7490 2.1757 H 1 noname 0.0651 33 H7 6.1418 2.3164 0.1932 H 1 noname 0.0574 34 H8 7.3635 1.6137 1.4493 H 1 noname 0.0574 35 H9 8.2681 2.7551 -1.0612 H 1 noname 0.0326 36 H10 8.4219 -2.9263 0.8541 H 1 noname 0.1388 37 H11 8.3215 5.1558 0.3898 H 1 noname 0.0270 38 H12 7.1746 4.2167 1.5591 H 1 noname 0.0270 39 H13 8.9892 2.6071 2.0462 H 1 noname 0.0270 40 H14 10.1361 3.5462 0.8769 H 1 noname 0.0270 @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 10 1 11 8 11 2 12 8 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 15 17 1 18 15 18 2 19 16 18 1 20 17 19 1 21 18 20 1 22 19 21 1 23 20 22 1 24 21 23 1 25 21 24 1 26 22 25 1 27 22 26 1 28 23 24 1 29 4 27 1 30 5 28 1 31 10 29 1 32 13 30 1 33 14 31 1 34 16 32 1 35 19 33 1 36 19 34 1 37 21 35 1 38 22 36 1 39 23 37 1 40 23 38 1 41 24 39 1 42 24 40 1 @SUBSTRUCTURE 1 noname 1