BN1V2I -OEChem-04022103303D 46 49 0 1 0 0 0 0 0999 V2000 5.6322 -1.1194 0.6820 P 0 0 2 0 0 0 0 0 0 0 0 0 2.2979 0.4068 -1.6086 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -0.0459 1.1626 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6026 -1.0925 -0.9428 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 2.2894 0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.5611 1.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9936 -0.8892 1.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 0.4763 -0.4962 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 -1.1129 -0.5149 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1838 2.4088 0.0248 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2919 -0.4711 0.0358 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 1.7838 0.2811 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3008 -0.0554 0.4332 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5838 0.1778 -1.0360 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3154 1.0545 0.7184 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5143 1.0963 -0.5970 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3480 -0.9937 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 1.1036 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 -0.8532 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 0.1012 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2574 0.4805 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4906 2.6542 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6601 -0.1365 0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5523 -1.3684 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0325 -1.0506 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9015 -2.2832 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 -1.0161 0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 1.0830 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 0.8755 1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 2.1210 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 -1.9357 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 -0.8397 -2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3312 2.9821 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 -1.5871 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 -2.8173 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0366 -1.4346 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 0.2810 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0001 0.6273 -0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7444 3.6886 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2273 -2.1316 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 -1.8076 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3558 -0.2692 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1771 -0.6614 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6220 -3.0757 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9541 -2.0355 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8037 -2.6743 -0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 5 33 1 0 0 0 0 6 35 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 18 2 0 0 0 0 10 22 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 11 36 1 0 0 0 0 12 21 1 0 0 0 0 12 22 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$