@MOLECULE 174585 43 46 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.7355 2.0171 -1.2953 Cl 1 noname 0.0053 2 C1 3.4380 2.0560 -0.2179 C.2 1 noname 0.1164 3 N1 3.5769 1.6321 1.0652 N.2 1 noname -0.1813 4 N2 2.2160 2.5131 -0.6038 N.2 1 noname -0.1873 5 C2 2.5413 1.6452 1.9524 C.2 1 noname 0.0860 6 C3 1.1182 2.5757 0.2239 C.2 1 noname 0.0974 7 N3 2.6957 1.1966 3.2351 N.2 1 noname -0.1866 8 C4 1.2463 2.1309 1.5681 C.2 1 noname 0.0524 9 N4 -0.0223 3.1456 -0.2934 N.3 1 noname -0.0746 10 C5 1.7056 1.1874 4.1836 C.2 1 noname 0.0639 11 N5 0.2672 2.1339 2.5267 N.2 1 noname -0.2058 12 C6 -1.1365 2.3510 -0.7785 C.3 1 noname 0.0366 13 C7 -0.0362 4.5794 -0.4145 C.3 1 noname 0.0285 14 C8 1.9446 0.7055 5.4653 C.2 1 noname -0.0377 15 C9 0.4355 1.6831 3.8167 C.2 1 noname 0.0449 16 C10 -1.6675 2.8724 -2.1596 C.3 1 noname 0.0625 17 C11 -2.2703 2.3820 0.2484 C.3 1 noname -0.0469 18 C12 -0.2074 4.9588 -1.9128 C.3 1 noname 0.0599 19 C13 2.8868 -0.2965 5.6665 C.2 1 noname -0.0316 20 C14 1.2415 1.2255 6.5457 C.2 1 noname -0.0316 21 O1 -0.9521 4.0025 -2.7512 O.3 1 noname -0.3783 22 C15 3.1258 -0.7784 6.9482 C.2 1 noname -0.0574 23 C16 1.4805 0.7435 7.8274 C.2 1 noname -0.0574 24 C17 2.4227 -0.2584 8.0286 C.2 1 noname -0.0451 25 C18 2.6737 -0.7646 9.3749 C.3 1 noname -0.0007 26 H1 -0.7257 1.3461 -0.8761 H 1 noname 0.0492 27 H2 -0.9248 4.9093 0.1237 H 1 noname 0.0459 28 H3 0.9509 4.9093 -0.0906 H 1 noname 0.0459 29 H4 -0.3996 1.7171 4.5164 H 1 noname 0.0862 30 H5 -1.5170 2.0655 -2.8769 H 1 noname 0.0582 31 H6 -2.6692 3.2635 -1.9816 H 1 noname 0.0582 32 H7 -1.8500 2.3705 1.2541 H 1 noname 0.0247 33 H8 -2.8599 3.2884 0.1114 H 1 noname 0.0247 34 H9 -2.9085 1.5091 0.1114 H 1 noname 0.0247 35 H10 -0.8171 5.8621 -1.9328 H 1 noname 0.0580 36 H11 0.7940 4.9675 -2.3434 H 1 noname 0.0580 37 H12 3.4382 -0.7043 4.8193 H 1 noname 0.0629 38 H13 0.5027 2.0112 6.3879 H 1 noname 0.0629 39 H14 3.8647 -1.5641 7.1061 H 1 noname 0.0625 40 H15 0.9291 1.1513 8.6746 H 1 noname 0.0625 41 H16 2.6709 -1.8545 9.3596 H 1 noname 0.0279 42 H17 3.6438 -0.4087 9.7218 H 1 noname 0.0279 43 H18 1.8940 -0.4087 10.0482 H 1 noname 0.0279 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 9 1 9 6 8 1 10 7 10 1 11 8 11 2 12 12 9 1 13 9 13 1 14 10 14 1 15 10 15 2 16 11 15 1 17 12 16 1 18 12 17 1 19 13 18 1 20 14 19 2 21 14 20 1 22 16 21 1 23 18 21 1 24 19 22 1 25 20 23 2 26 22 24 2 27 23 24 1 28 24 25 1 29 12 26 1 30 13 27 1 31 13 28 1 32 15 29 1 33 16 30 1 34 16 31 1 35 17 32 1 36 17 33 1 37 17 34 1 38 18 35 1 39 18 36 1 40 19 37 1 41 20 38 1 42 22 39 1 43 23 40 1 44 25 41 1 45 25 42 1 46 25 43 1 @SUBSTRUCTURE 1 noname 1