@MOLECULE 136497 51 56 1 SMALL USER_CHARGES @ATOM 1 F1 0.5242 -6.2396 5.1712 F 1 noname -0.1585 2 C1 0.4526 -5.7559 3.9656 C.2 1 noname 0.0438 3 C2 1.5949 -5.1444 3.3767 C.2 1 noname 0.0510 4 C3 -0.7705 -5.8395 3.2368 C.2 1 noname 0.0097 5 N1 1.4610 -4.6834 2.0878 N.2 1 noname -0.2408 6 C4 2.8518 -5.0124 4.1076 C.3 1 noname 0.0479 7 C5 -0.8792 -5.3545 1.9046 C.2 1 noname -0.0142 8 C6 0.3090 -4.7869 1.3343 C.2 1 noname 0.0040 9 C7 0.4472 -4.3564 -0.0743 C.3 1 noname 0.0921 10 N2 -0.5034 -3.4574 -0.6337 N.3 1 noname -0.0672 11 C8 0.3567 -5.5621 -1.0275 C.3 1 noname 0.0800 12 C9 -1.0216 -2.3128 -0.0308 C.2 1 noname 0.0804 13 C10 -0.8611 -4.0054 -1.9112 C.2 1 noname 0.1415 14 O1 -0.8881 -5.4085 -1.6955 O.3 1 noname -0.1843 15 N3 -0.9990 -2.1704 1.3506 N.2 1 noname -0.1906 16 C11 -1.6441 -1.2976 -0.8219 C.2 1 noname 0.0221 17 O2 -1.0956 -3.3878 -2.9724 O.2 1 noname -0.2289 18 C12 -1.6244 -1.1271 1.9867 C.2 1 noname 0.0195 19 C13 -2.2718 -0.2234 -0.1697 C.2 1 noname -0.0349 20 N4 -2.2485 -0.2070 1.1919 N.3 1 noname -0.0583 21 C14 -1.8353 -0.7558 3.3344 C.2 1 noname 0.0612 22 N5 -2.8304 0.6869 1.9036 N.2 1 noname -0.2970 23 C15 -1.4204 -1.3177 4.6110 C.2 1 noname -0.0157 24 C16 -2.6147 0.4049 3.1970 C.2 1 noname 0.0444 25 C17 -2.0122 -0.8405 5.8443 C.2 1 noname -0.0226 26 C18 -0.3969 -2.3119 4.6319 C.2 1 noname -0.0226 27 C19 -1.5943 -1.3448 7.0974 C.2 1 noname -0.0105 28 C20 0.0352 -2.8322 5.8826 C.2 1 noname -0.0105 29 C21 -0.5944 -2.3710 7.0827 C.2 1 noname -0.0068 30 C22 0.0156 -2.7662 8.2757 C.2 1 noname 0.0894 31 N6 0.8577 -3.8016 8.3826 N.2 1 noname -0.2830 32 N7 0.0629 -2.0164 9.3818 N.2 1 noname -0.1855 33 N8 1.6074 -3.5442 9.3859 N.3 1 noname -0.0100 34 C23 1.1475 -2.4595 10.0274 C.2 1 noname -0.0112 35 H1 -1.6450 -6.2856 3.7104 H 1 noname 0.0654 36 H2 2.6530 -5.0333 5.1791 H 1 noname 0.0296 37 H3 3.5134 -5.8379 3.8447 H 1 noname 0.0296 38 H4 3.3276 -4.0676 3.8447 H 1 noname 0.0296 39 H5 -1.8176 -5.4144 1.3534 H 1 noname 0.0643 40 H6 1.3689 -3.7802 0.0069 H 1 noname 0.0569 41 H7 1.1301 -5.4695 -1.7899 H 1 noname 0.0594 42 H8 0.2800 -6.4752 -0.4371 H 1 noname 0.0594 43 H9 -1.6402 -1.3421 -1.9110 H 1 noname 0.0670 44 H10 -2.7680 0.5826 -0.7102 H 1 noname 0.0815 45 H11 -3.0091 1.0197 4.0060 H 1 noname 0.0864 46 H12 -2.7937 -0.0808 5.8289 H 1 noname 0.0629 47 H13 0.0492 -2.6696 3.7039 H 1 noname 0.0629 48 H14 -2.0203 -0.9629 8.0252 H 1 noname 0.0630 49 H15 0.8352 -3.5716 5.9207 H 1 noname 0.0630 50 H16 2.4167 -4.0978 9.6280 H 1 noname 0.1766 51 H17 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 3 6 1 6 4 7 2 7 5 8 2 8 7 8 1 9 9 8 1 10 9 10 1 11 9 11 1 12 10 12 1 13 10 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 2 18 13 14 1 19 15 18 1 20 16 19 2 21 18 20 1 22 18 21 2 23 19 20 1 24 20 22 1 25 21 23 1 26 21 24 1 27 22 24 2 28 23 25 2 29 23 26 1 30 25 27 1 31 26 28 2 32 27 29 2 33 28 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 4 35 1 41 6 36 1 42 6 37 1 43 6 38 1 44 7 39 1 45 9 40 1 46 11 41 1 47 11 42 1 48 16 43 1 49 19 44 1 50 24 45 1 51 25 46 1 52 26 47 1 53 27 48 1 54 28 49 1 55 33 50 1 56 34 51 1 @SUBSTRUCTURE 1 noname 1