@MOLECULE 71587109 46 47 1 SMALL USER_CHARGES @ATOM 1 P1 -2.9990 1.8477 2.4494 P 1 noname 0.0206 2 F1 0.2031 1.7848 -0.2004 F 1 noname -0.2271 3 F2 -2.8877 3.4608 6.3316 F 1 noname -0.2271 4 F3 -5.2412 2.7606 7.1920 F 1 noname -0.1954 5 F4 -6.2466 3.6395 5.3613 F 1 noname -0.1954 6 F5 0.4561 3.9897 -1.4114 F 1 noname -0.1954 7 F6 1.9637 1.2583 1.3435 F 1 noname -0.1954 8 F7 0.3872 1.6364 2.7726 F 1 noname -0.1954 9 F8 -2.4730 5.8007 5.9034 F 1 noname -0.1954 10 F9 -2.8582 5.2354 3.8577 F 1 noname -0.1954 11 F10 0.0210 5.1539 0.4762 F 1 noname -0.1954 12 F11 2.9798 3.8232 -0.8154 F 1 noname -0.1924 13 F12 2.3922 5.8109 -0.2335 F 1 noname -0.1924 14 F13 1.2832 4.0677 3.3821 F 1 noname -0.1924 15 F14 2.9495 2.6899 3.3601 F 1 noname -0.1924 16 F15 -4.9003 5.2174 8.2189 F 1 noname -0.1924 17 F16 -6.9497 4.9947 7.5650 F 1 noname -0.1924 18 F17 -5.3481 6.1854 3.8653 F 1 noname -0.1924 19 F18 -4.0573 7.6477 4.8060 F 1 noname -0.1924 20 F19 4.1244 3.8479 1.4391 F 1 noname -0.1922 21 F20 2.8511 5.4760 2.1858 F 1 noname -0.1922 22 F21 -5.1887 7.4615 7.0660 F 1 noname -0.1922 23 F22 -6.7826 6.7199 5.7448 F 1 noname -0.1922 24 O1 -1.6201 1.7466 1.6920 O.3 1 noname -0.1508 25 O2 -2.7989 2.7887 3.7181 O.3 1 noname -0.1508 26 O3 -4.0404 2.4519 1.4092 O.3 1 noname -0.1635 27 O4 -3.3814 0.4866 2.8541 O.2 1 noname -0.1951 28 C1 -3.9226 3.9136 5.5547 C.3 1 noname 0.2728 29 C2 0.2616 2.8300 0.6850 C.3 1 noname 0.2728 30 C3 0.7328 4.1198 -0.0749 C.3 1 noname 0.3580 31 C4 1.1718 2.2620 1.8385 C.3 1 noname 0.3580 32 C5 -3.4688 5.3412 5.0807 C.3 1 noname 0.3580 33 C6 -5.2819 3.8170 6.3191 C.3 1 noname 0.3580 34 C7 -5.6693 5.1104 7.0888 C.3 1 noname 0.3816 35 C8 -4.6019 6.4037 4.9945 C.3 1 noname 0.3816 36 C9 2.2220 4.4944 0.1092 C.3 1 noname 0.3816 37 C10 2.0532 3.3158 2.5328 C.3 1 noname 0.3816 38 C11 -5.5412 6.4219 6.2447 C.3 1 noname 0.3842 39 C12 2.8221 4.2626 1.5483 C.3 1 noname 0.3842 40 C13 -1.1620 3.0227 1.2281 C.3 1 noname 0.1092 41 C14 -4.0567 2.9803 4.3525 C.3 1 noname 0.1092 42 H1 -1.8124 3.3728 0.4266 H 1 noname 0.0615 43 H2 -1.2002 3.7790 2.0121 H 1 noname 0.0615 44 H3 -4.7624 3.4058 3.6390 H 1 noname 0.0615 45 H4 -4.4169 1.9999 4.6643 H 1 noname 0.0615 46 H5 -4.1092 1.8574 0.6331 H 1 noname 0.2283 @BOND 1 1 24 1 2 1 25 1 3 1 26 1 4 1 27 2 5 2 29 1 6 3 28 1 7 4 33 1 8 5 33 1 9 6 30 1 10 7 31 1 11 8 31 1 12 9 32 1 13 10 32 1 14 11 30 1 15 12 36 1 16 13 36 1 17 14 37 1 18 15 37 1 19 16 34 1 20 17 34 1 21 18 35 1 22 19 35 1 23 20 39 1 24 21 39 1 25 22 38 1 26 23 38 1 27 24 40 1 28 25 41 1 29 26 46 1 30 28 32 1 31 28 33 1 32 28 41 1 33 29 30 1 34 29 31 1 35 29 40 1 36 30 36 1 37 31 37 1 38 32 35 1 39 33 34 1 40 34 38 1 41 35 38 1 42 36 39 1 43 37 39 1 44 40 42 1 45 40 43 1 46 41 44 1 47 41 45 1 @SUBSTRUCTURE 1 noname 1