NCI:295433 BBtclserve11129918482D 0 0.00000 0.00000165945 69550-10-3 39 42 0 0 0 0 0 0 0 0 3 V2000 5.4641 1.2633 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 0.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1096 2.0271 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8227 2.0305 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1056 0.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 2.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 2.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 1.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6056 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6056 1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 3.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7392 2.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 3.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1961 2.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2367 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1055 -1.2359 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6056 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6056 1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4005 3.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7633 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6055 -2.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -1.2359 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1056 0.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2367 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.1056 0.4961 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7367 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6056 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6056 -0.3699 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 2 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 2 0 0 0 0 16 26 2 0 0 0 0 18 27 2 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 21 30 2 0 0 0 0 23 31 2 0 0 0 0 23 32 1 0 0 0 0 24 33 2 0 0 0 0 30 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 17 26 1 0 0 0 0 19 27 1 0 0 0 0 22 30 1 0 0 0 0 25 33 1 0 0 0 0 M CHG 8 4 1 5 1 20 1 23 1 29 -1 32 -1 34 1 35 1 M CHG 2 37 -1 39 -1 M END