B2NEB3 -OEChem-04012115082D 66 70 0 1 0 0 0 0 0999 V2000 7.3799 -0.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 2.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0501 -3.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7595 4.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5363 -2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7049 0.3034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7049 1.3034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8109 1.8380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9049 1.3242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5709 -0.1966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8109 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9049 0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5709 1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 -0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4369 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9642 2.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4369 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 -1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0709 -1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5819 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3029 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2721 3.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 3.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6056 -2.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5362 -2.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6055 -2.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5950 -4.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 0.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1991 0.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 -0.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2155 -0.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 0.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -0.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9694 2.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 2.2783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -0.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8951 -1.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 -0.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4519 -0.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1955 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 1.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2201 2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3749 2.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 3.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9739 1.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 2.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 1.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 0.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0077 1.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 0.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 0.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8399 -0.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 4.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6127 -3.2378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2254 -2.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 -1.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0593 -4.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9071 -4.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1308 -4.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 22 1 0 0 0 0 2 14 1 0 0 0 0 2 27 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 27 2 0 0 0 0 5 29 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 1 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 33 1 6 0 0 0 8 9 1 0 0 0 0 8 18 1 1 0 0 0 8 19 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 34 1 6 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 20 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 26 2 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 28 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 M END $$$$