BV5TU4 -OEChem-04022108102D 59 60 0 1 0 0 0 0 0999 V2000 4.5883 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 3.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 2.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 2.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 0.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 -1.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 3.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9543 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 1.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4543 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 3.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9184 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -1.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5883 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 2.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3478 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5733 3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8297 3.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5607 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8895 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8572 1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5848 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7878 2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 2.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8572 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2284 1.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4553 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6084 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 0.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6724 0.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9912 -0.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3762 -0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8572 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 -2.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 4.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 3.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 3.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9912 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9912 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 12 6 1 6 0 0 0 6 19 1 0 0 0 0 6 40 1 0 0 0 0 20 7 1 1 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 6 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 25 27 2 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 M END $$$$