B3IVR7 -OEChem-04022108183D 45 48 0 1 0 0 0 0 0999 V2000 4.7202 0.2470 -0.5364 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1132 -1.8089 0.4217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 -1.2106 0.6803 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 1.1542 0.1247 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0709 1.3592 0.8118 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1462 -0.0208 0.7987 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0626 2.5437 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 0.1360 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2851 2.7071 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0961 -1.1179 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8293 3.3815 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 -0.2992 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 0.1906 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8534 -2.2824 0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8857 -0.9824 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6126 0.3371 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5242 -1.1951 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 -2.2151 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8372 0.0772 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7486 -1.4550 -1.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.9199 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9051 -0.8188 -1.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 0.4267 -0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3547 1.7658 -1.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 0.8940 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 1.4497 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 0.1792 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 2.7855 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 2.6745 -0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 3.1291 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -2.1232 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 4.4041 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6564 1.1530 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3671 -3.2553 0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5742 1.0363 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 -1.6924 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7957 -3.1370 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7376 0.5726 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8011 -2.1482 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8581 -1.0202 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 0.3976 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5011 -0.3779 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 1.8155 -2.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 2.5782 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4201 1.9366 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 21 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 25 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 26 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 11 32 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 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 24 45 1 0 0 0 0 M END $$$$