BS4MB3 -OEChem-04012113383D 57 59 0 1 0 0 0 0 0999 V2000 -2.3345 2.9585 -1.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8732 0.4467 0.4997 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 0.2045 0.5187 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7585 -1.7890 0.0521 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 1.6860 -0.5682 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6842 2.2128 -0.0878 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3872 1.3823 0.7883 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3169 3.1315 1.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 0.4465 -1.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6436 1.0967 0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0982 2.4816 1.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7755 -0.0247 -0.6642 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3982 -0.6228 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 2.7652 -1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 1.3246 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7644 -1.0898 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1223 -0.9264 -0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 -2.2260 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0307 -1.9046 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2179 -3.2043 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5784 -3.0435 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5357 -0.7896 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0358 -0.5427 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -1.5584 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3636 -2.4151 -1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 0.4159 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 3.2574 1.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 4.1383 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 -0.0101 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 0.7643 -2.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6351 1.5317 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 0.6681 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 3.2370 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3797 2.0371 2.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 0.4006 -1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 -1.4071 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 -1.0874 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 3.6670 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4412 2.3843 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 3.0690 -2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 2.3998 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 2.2765 0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4866 -0.0426 -1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 -2.3906 0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0901 -1.7793 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 -4.0887 1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2859 -3.8045 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 -1.4900 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -1.1840 -0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2752 0.2023 -0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3253 -0.0890 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5111 -1.1166 1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5280 -0.8923 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7480 -2.5056 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0174 -3.2673 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4219 -1.7220 -2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 -2.8412 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 15 2 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 M END $$$$