B9QVS2 -OEChem-04042102343D 39 41 0 0 0 0 0 0 0999 V2000 4.4346 0.3133 -0.4611 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 3.0508 0.5086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 -4.9138 0.1069 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1847 -3.7044 0.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 0.8780 -0.1416 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 2.0803 1.2414 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9999 -3.8044 0.3829 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3376 -0.2784 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0142 -0.2081 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 1.0890 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 2.0190 0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7746 -1.3818 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 1.9251 1.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -1.5499 -0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2829 0.8349 -1.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 1.2772 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2209 -2.6264 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0922 -2.7092 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 0.6188 -1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9971 2.1085 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6566 0.7945 -1.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2594 2.2840 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5891 1.6270 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5521 0.2760 -1.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -1.3056 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2182 1.0049 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 2.7541 2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 -1.6826 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 1.8529 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 0.2353 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5615 -3.6602 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 -0.0093 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 2.6234 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 0.2893 -2.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9865 2.9308 0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5714 1.7649 -1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4045 -0.1370 -0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8087 1.2848 -1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 -0.3678 -2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 24 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 17 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$