B6BQE1 -OEChem-04042106213D 43 46 0 1 0 0 0 0 0999 V2000 -2.2661 -4.6034 -0.6165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2788 -0.1580 2.7092 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0366 -2.3026 -0.0559 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 2.6586 -1.3055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 1.2972 0.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6579 1.6432 0.7556 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9157 3.7905 0.1779 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -1.0088 -0.1066 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0073 -0.9143 -0.1863 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7159 0.1111 -0.1612 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2616 0.4687 -0.7623 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0752 1.6154 -1.7010 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3431 1.5144 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 0.3860 0.4401 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3293 -0.6788 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1488 -0.0267 1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 2.6278 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 -0.3509 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 -1.9931 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0197 -1.3371 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 -2.9793 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 -2.6513 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 0.2455 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 0.2721 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 1.4603 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4809 1.4289 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 -0.9058 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1339 0.2271 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5576 0.1631 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5317 -0.4836 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 1.4069 -2.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2491 1.2357 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5002 2.2109 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7132 -0.9574 1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8653 0.7532 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 0.6655 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4225 3.9354 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 4.5409 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 -3.4201 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -1.7829 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 2.3991 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 2.3479 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8071 -1.8748 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 3 19 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 5 23 2 0 0 0 0 6 14 1 0 0 0 0 6 17 2 0 0 0 0 7 17 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 40 1 0 0 0 0 9 24 2 0 0 0 0 9 27 1 0 0 0 0 10 29 3 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 M END $$$$