B6RI7T -OEChem-04022110222D 45 48 0 1 0 0 0 0 0999 V2000 9.3972 2.8482 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 2.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 3.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.1972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.3628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1346 2.1728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7238 2.9808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6743 2.6702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4843 3.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 1.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 2.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 3.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 2.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8319 3.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 3.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 -0.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 2.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 4.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -4.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -4.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 12 3 1 6 0 0 0 3 38 1 0 0 0 0 13 4 1 6 0 0 0 4 40 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 11 6 1 1 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 7 39 1 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 17 2 0 0 0 0 9 25 1 0 0 0 0 10 22 1 0 0 0 0 10 25 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 1 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 18 23 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 21 37 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$