B3XIG9 -OEChem-04012113173D 53 56 0 0 0 0 0 0 0999 V2000 4.3766 -1.2016 -0.0966 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7018 -0.6249 0.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7133 0.5400 1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 0.7740 0.9912 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -1.5758 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 -2.6184 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1489 -0.1891 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -2.5489 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 -0.1999 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 -1.5823 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -1.1642 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 0.1820 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 -0.3860 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9787 0.4293 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3945 1.1568 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 -1.1071 -0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 1.6765 -1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9632 2.4041 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 2.6638 -0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 -0.8689 -0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6791 0.0788 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0777 0.3911 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6877 0.2662 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8311 0.8197 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0407 0.5680 -1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1842 1.1214 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7890 0.9955 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 -1.8291 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 -2.4596 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9724 -3.6244 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6349 0.5584 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 0.1432 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 -2.8532 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 -3.2747 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 0.8163 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7122 -0.3761 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.5891 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -1.3409 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3451 -1.9211 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9462 -1.4267 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 -0.1109 1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9883 -0.3317 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9639 0.9650 1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2184 -1.8558 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 1.8789 -2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9604 3.1718 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9831 3.6347 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5712 -1.4480 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1371 -0.0394 -2.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3935 0.9183 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5109 0.4756 -2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7679 1.4522 1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8424 1.2311 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 13 2 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 42 1 0 0 0 0 15 18 2 0 0 0 0 15 43 1 0 0 0 0 16 20 2 0 0 0 0 16 44 1 0 0 0 0 17 19 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$