MMs02725266 MOE2007 2D CORINA 3.40 0006 02.08.2006 63 65 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2387 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9774 -2.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 -3.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7163 -3.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -2.5850 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -5.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -6.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4549 -5.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 -2.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 -1.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4773 -2.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 -0.0649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7609 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2608 1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9996 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2383 -1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7384 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4995 -0.1167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4865 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5125 1.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9994 -0.1297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7606 1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2606 1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0218 2.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2831 3.7478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7831 3.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0219 2.4683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0444 5.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8056 6.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5217 2.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2829 3.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 0.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -0.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8476 -0.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1073 -4.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -6.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 -5.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5848 -7.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 -7.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4445 -6.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 -5.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4653 -4.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 -0.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9087 0.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1699 2.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8698 2.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8293 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1294 -2.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5904 -1.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8516 0.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8396 5.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4145 7.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7716 6.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3169 3.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8919 4.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2489 4.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 35 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 M END