MMs02621987 MOE2007 2D CORINA 3.40 0006 02.08.2006 78 83 0 0 1 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 1.2757 -0.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -1.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 0.0118 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2563 1.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7606 0.9201 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0712 -0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1971 0.4882 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3971 0.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0518 1.7209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3623 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1435 2.9147 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5435 3.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7275 2.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9981 4.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4346 3.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4678 2.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9305 3.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0384 5.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1658 -1.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1446 -0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6607 -2.6232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2607 -3.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6819 -3.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1768 -5.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6133 -5.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6464 -7.1073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6326 -7.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2304 -7.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3222 -6.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8342 -6.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 -7.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1628 -9.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6507 -8.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1345 -2.9025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1133 -1.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6184 -0.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5870 -2.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5659 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0396 -1.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0184 -0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4922 -0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9871 -1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0083 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5345 -2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 -1.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 1.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 0.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 -1.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 -2.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7904 -1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0197 2.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1271 3.9163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8412 5.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1369 4.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5214 6.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9399 5.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9224 -2.8307 0.0000 H 0 0 0 0 0 0 0 0 0 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