BW17HR -OEChem-04022117553D 69 73 0 1 0 0 0 0 0999 V2000 4.7162 0.5120 -1.1188 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4961 4.2065 -1.7287 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9442 2.7011 0.6885 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5352 0.4204 0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3243 0.3197 -2.4273 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -3.2169 2.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 -4.5835 1.5436 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -0.3496 -0.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 2.3161 0.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 2.0073 -1.1110 N 0 0 1 0 0 0 0 0 0 0 0 0 0.2603 -3.3024 -0.4162 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 3.1549 -0.1637 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6612 4.1396 -1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9366 3.0010 -2.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 3.0877 1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3814 -0.6050 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 -1.3179 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 -0.7741 -2.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.1827 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 -2.3624 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 -1.6599 -1.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 1.9743 1.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 -3.0577 1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 -3.7796 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 -3.7142 -1.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 1.0538 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.1543 2.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 -2.8209 -1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4555 0.3136 2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 1.4140 3.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 -2.9268 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -1.8845 -2.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 0.4937 3.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9617 -2.0966 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 -1.0543 -2.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 -1.1603 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 -0.0068 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 1.3753 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9307 3.6331 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8571 4.5776 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 3.2641 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2817 5.0308 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6085 4.4372 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 2.8257 -2.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 3.0464 -2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 4.0633 1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 2.3569 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -1.2083 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -0.2128 -2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 -1.7785 -2.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -3.7718 -2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1108 -4.7355 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0948 0.9092 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 2.8810 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1971 -0.4039 1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 1.5585 4.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6478 -3.6593 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 -1.7939 -3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 -0.0825 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5996 -2.2320 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6281 -0.3274 -2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4743 -0.7437 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8891 0.0310 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7164 1.6430 1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2181 1.3874 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7827 3.6576 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2611 3.9316 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2162 5.6093 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9604 4.5230 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 40 1 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 6 23 2 0 0 0 0 7 24 2 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 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 48 1 0 0 0 0 18 21 2 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 50 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 25 28 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 30 2 0 0 0 0 27 54 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 33 2 0 0 0 0 29 55 1 0 0 0 0 30 33 1 0 0 0 0 30 56 1 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 35 2 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 36 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 37 38 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 M END $$$$