B91VOM -OEChem-04022116553D 31 33 0 0 0 0 0 0 0999 V2000 -1.7708 3.1804 -0.4628 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 2.9150 -1.0463 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3219 3.0581 1.0636 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 1.2806 1.2976 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 -0.5939 0.5335 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7665 1.0599 -0.8220 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3579 -1.5592 0.0083 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0689 -1.4359 -0.5784 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7862 0.3613 0.2372 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4545 -2.9096 0.1252 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4682 -1.9423 0.5669 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 -0.7830 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2388 -0.9826 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3877 0.5507 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 -0.9882 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 1.0818 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5108 -0.0807 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2704 -1.4324 -1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -0.0784 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8143 0.3714 0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 -0.9802 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 2.5786 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2397 0.4051 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7306 -3.0764 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1543 -2.3891 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 1.2340 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 0.2660 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 -2.1346 -2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 1.0684 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3711 -1.3360 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1355 -4.0627 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 9 15 1 0 0 0 0 9 16 2 0 0 0 0 10 24 2 0 0 0 0 11 15 2 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 27 1 0 0 0 0 18 21 2 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 24 31 1 0 0 0 0 M END $$$$