BU3R2X -OEChem-04042105263D 40 41 0 1 0 0 0 0 0999 V2000 1.3636 0.6403 0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 3.9218 -0.7875 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 3.9277 -0.0871 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 -4.5159 0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1492 0.8654 2.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6915 1.4170 -0.1827 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 1.8410 0.0384 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0383 1.0103 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9559 -0.4685 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0846 -1.2579 -1.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -1.0089 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2206 3.3194 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 0.9650 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 -2.6240 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 -2.3752 0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 -3.1827 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3368 0.1537 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6079 -0.1536 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 -1.4245 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 0.8349 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9894 -1.7105 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7558 0.5489 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 -0.7238 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2768 1.7296 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0655 1.3583 -0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 1.1760 -1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 1.4821 -1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -0.8343 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 -0.3874 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 -3.2422 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2967 -2.8044 1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 -0.7492 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 0.9104 1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0549 -2.1999 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4222 1.8301 0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 4.8724 -0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1507 -2.7013 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 1.3173 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8832 -0.9463 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0754 -4.9190 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 36 1 0 0 0 0 3 12 2 0 0 0 0 4 16 1 0 0 0 0 4 40 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 11 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$