BQ2DL4 -OEChem-04022106413D 50 52 0 0 0 0 0 0 0999 V2000 -3.7263 2.3060 0.7974 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1385 3.9379 0.3442 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -2.5694 -0.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 1.9784 -0.6907 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 -0.7972 0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 -2.4821 -0.6185 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7796 -0.6798 0.2634 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7602 -2.3398 -1.0716 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 -2.2798 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 2.0453 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 -2.6547 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 1.4704 -1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 -1.6107 1.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5126 2.6963 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5249 -2.3607 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7145 2.4770 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 1.0194 1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2829 1.5481 -1.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 -1.9205 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3181 2.8979 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -3.3731 -1.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 -0.2326 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 0.7658 -2.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5122 -1.3164 2.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6517 -1.6914 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 2.7741 0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7731 2.2000 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -1.8085 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 -3.3447 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6636 1.2806 -1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 -1.3395 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 3.1225 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4233 -2.6457 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1349 3.2722 -1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7314 1.5606 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 0.7809 2.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7611 1.4086 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 1.1041 -1.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 -4.3713 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 -2.8097 -2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1315 -3.4999 -2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 0.4222 -3.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 1.4358 -3.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 -0.1170 -2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6118 -0.8031 3.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -1.4631 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 3.2734 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8438 2.2575 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6467 -1.8652 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6818 -3.1874 -1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 20 2 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 3 29 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 30 1 0 0 0 0 5 19 2 0 0 0 0 5 22 1 0 0 0 0 6 19 1 0 0 0 0 6 28 2 0 0 0 0 7 22 2 0 0 0 0 7 28 1 0 0 0 0 8 28 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 18 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 31 1 0 0 0 0 14 26 1 0 0 0 0 14 32 1 0 0 0 0 15 25 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 27 1 0 0 0 0 18 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$