@MOLECULE 136484 48 53 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.5455 -6.3831 5.5289 Cl 1 noname -0.0729 2 C1 0.4526 -5.7559 3.9656 C.2 1 noname 0.0219 3 C2 1.5949 -5.1444 3.3767 C.2 1 noname 0.0318 4 C3 -0.7705 -5.8395 3.2368 C.2 1 noname -0.0061 5 N1 1.4610 -4.6834 2.0878 N.2 1 noname -0.2342 6 C4 -0.8792 -5.3545 1.9046 C.2 1 noname -0.0063 7 C5 0.3090 -4.7869 1.3343 C.2 1 noname 0.0139 8 C6 0.4472 -4.3564 -0.0743 C.3 1 noname 0.0921 9 N2 -0.5034 -3.4574 -0.6337 N.3 1 noname -0.0672 10 C7 0.3567 -5.5621 -1.0275 C.3 1 noname 0.0800 11 C8 -1.0216 -2.3128 -0.0308 C.2 1 noname 0.0804 12 C9 -0.8611 -4.0054 -1.9112 C.2 1 noname 0.1415 13 O1 -0.8881 -5.4085 -1.6955 O.3 1 noname -0.1843 14 N3 -0.9990 -2.1704 1.3506 N.2 1 noname -0.1905 15 C10 -1.6441 -1.2976 -0.8219 C.2 1 noname 0.0220 16 O2 -1.0956 -3.3878 -2.9724 O.2 1 noname -0.2289 17 C11 -1.6244 -1.1271 1.9867 C.2 1 noname 0.0214 18 C12 -2.2718 -0.2234 -0.1697 C.2 1 noname -0.0349 19 N4 -2.2485 -0.2070 1.1919 N.3 1 noname -0.0573 20 C13 -1.8353 -0.7558 3.3344 C.2 1 noname 0.0614 21 N5 -2.8304 0.6869 1.9036 N.2 1 noname -0.2970 22 C14 -1.4204 -1.3177 4.6110 C.2 1 noname -0.0041 23 C15 -2.6147 0.4049 3.1970 C.2 1 noname 0.0444 24 C16 -2.0122 -0.8405 5.8443 C.2 1 noname 0.0262 25 C17 -0.3969 -2.3119 4.6319 C.2 1 noname -0.0277 26 C18 -1.5943 -1.3448 7.0974 C.2 1 noname 0.0652 27 C19 0.0352 -2.8322 5.8826 C.2 1 noname 0.0010 28 F1 -2.0946 -0.8979 8.2121 F 1 noname -0.1578 29 C20 -0.5944 -2.3710 7.0827 C.2 1 noname 0.0404 30 C21 0.0156 -2.7662 8.2757 C.2 1 noname 0.0921 31 N6 0.8577 -3.8016 8.3826 N.2 1 noname -0.2705 32 N7 0.0629 -2.0164 9.3818 N.2 1 noname -0.1846 33 N8 1.6074 -3.5442 9.3859 N.3 1 noname -0.0026 34 C22 1.1475 -2.4595 10.0274 C.2 1 noname -0.0102 35 H1 2.5455 -5.0323 3.8981 H 1 noname 0.0855 36 H2 -1.6450 -6.2856 3.7104 H 1 noname 0.0639 37 H3 -1.8176 -5.4144 1.3534 H 1 noname 0.0642 38 H4 1.3689 -3.7802 0.0069 H 1 noname 0.0569 39 H5 1.1301 -5.4695 -1.7899 H 1 noname 0.0594 40 H6 0.2800 -6.4752 -0.4371 H 1 noname 0.0594 41 H7 -1.6402 -1.3421 -1.9110 H 1 noname 0.0670 42 H8 -2.7680 0.5826 -0.7102 H 1 noname 0.0815 43 H9 -3.0091 1.0197 4.0060 H 1 noname 0.0864 44 H10 -2.7937 -0.0808 5.8289 H 1 noname 0.0660 45 H11 0.0492 -2.6696 3.7039 H 1 noname 0.0629 46 H12 0.8352 -3.5716 5.9207 H 1 noname 0.0631 47 H13 2.4167 -4.0978 9.6280 H 1 noname 0.1766 48 H14 1.5819 -2.0134 10.9221 H 1 noname 0.1028 @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 6 7 1 8 8 7 1 9 8 9 1 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 1 14 11 14 2 15 11 15 1 16 12 16 2 17 12 13 1 18 14 17 1 19 15 18 2 20 17 19 1 21 17 20 2 22 18 19 1 23 19 21 1 24 20 22 1 25 20 23 1 26 21 23 2 27 22 24 2 28 22 25 1 29 24 26 1 30 25 27 2 31 26 28 1 32 26 29 2 33 27 29 1 34 29 30 1 35 30 31 2 36 30 32 1 37 31 33 1 38 32 34 2 39 33 34 1 40 3 35 1 41 4 36 1 42 6 37 1 43 8 38 1 44 10 39 1 45 10 40 1 46 15 41 1 47 18 42 1 48 23 43 1 49 24 44 1 50 25 45 1 51 27 46 1 52 33 47 1 53 34 48 1 @SUBSTRUCTURE 1 noname 1