@MOLECULE 125336 39 41 1 SMALL USER_CHARGES @ATOM 1 F1 5.7852 -5.8836 -1.9891 F 1 noname -0.1785 2 C1 5.0120 -5.9555 -0.8592 C.3 1 noname 0.3496 3 F2 5.5246 -6.9057 -0.0143 F 1 noname -0.1785 4 O1 5.0088 -4.6942 -0.2068 O.3 1 noname -0.2320 5 C2 4.2474 -4.7650 0.9057 C.2 1 noname 0.0021 6 C3 2.8901 -4.4729 0.8387 C.2 1 noname -0.0220 7 C4 4.8208 -5.1298 2.1183 C.2 1 noname -0.0461 8 C5 2.1061 -4.5457 1.9843 C.2 1 noname -0.0200 9 C6 4.0368 -5.2027 3.2638 C.2 1 noname -0.0514 10 N1 0.7159 -4.2466 1.9156 N.3 1 noname 0.0096 11 C7 2.6795 -4.9106 3.1968 C.2 1 noname -0.0641 12 C8 -0.3757 -4.1908 2.7399 C.2 1 noname 0.0623 13 N2 -1.4316 -3.8123 1.9457 N.2 1 noname -0.2490 14 C9 -0.5884 -4.4370 4.1609 C.2 1 noname 0.0096 15 C10 -2.7150 -3.6382 2.3829 C.2 1 noname 0.0085 16 C11 0.4227 -4.8383 5.1116 C.2 1 noname 0.0827 17 C12 -1.9372 -4.2515 4.6076 C.2 1 noname -0.0056 18 C13 -3.0006 -3.8583 3.7493 C.2 1 noname -0.0424 19 N3 0.1744 -5.0603 6.4500 N.2 1 noname -0.2174 20 N4 1.7059 -5.0131 4.6785 N.2 1 noname -0.2388 21 C14 1.1847 -5.4391 7.2914 C.2 1 noname 0.0964 22 C15 2.7289 -5.3901 5.4982 C.2 1 noname 0.0686 23 N5 2.4553 -5.6020 6.8123 N.2 1 noname -0.2276 24 N6 0.9284 -5.6513 8.5894 N.3 1 noname -0.0771 25 C16 4.0821 -5.5615 4.9774 C.3 1 noname 0.0696 26 H1 4.0048 -6.2561 -1.1477 H 1 noname 0.1388 27 H2 2.4405 -4.1868 -0.1121 H 1 noname 0.0667 28 H3 5.8852 -5.3589 2.1708 H 1 noname 0.0650 29 H4 4.4864 -5.4888 4.2146 H 1 noname 0.0624 30 H5 0.4057 -3.9938 0.9883 H 1 noname 0.1357 31 H6 2.0648 -4.9677 4.0951 H 1 noname 0.0639 32 H7 -3.4813 -3.3355 1.6692 H 1 noname 0.0839 33 H8 -2.1673 -4.4189 5.6598 H 1 noname 0.0631 34 H9 -4.0134 -3.7284 4.1308 H 1 noname 0.0639 35 H10 1.6899 -5.7312 9.2480 H 1 noname 0.1273 36 H11 -0.0264 -5.7312 8.9091 H 1 noname 0.1273 37 H12 4.7825 -5.6502 5.8079 H 1 noname 0.0312 38 H13 4.1252 -6.4640 4.3678 H 1 noname 0.0312 39 H14 4.3488 -4.6982 4.3678 H 1 noname 0.0312 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 1 17 14 17 2 18 15 18 2 19 16 19 2 20 16 20 1 21 17 18 1 22 19 21 1 23 20 22 2 24 21 23 2 25 21 24 1 26 22 25 1 27 22 23 1 28 2 26 1 29 6 27 1 30 7 28 1 31 9 29 1 32 10 30 1 33 11 31 1 34 15 32 1 35 17 33 1 36 18 34 1 37 24 35 1 38 24 36 1 39 25 37 1 40 25 38 1 41 25 39 1 @SUBSTRUCTURE 1 noname 1