B38RKS -OEChem-04012114313D 55 59 0 0 0 0 0 0 0999 V2000 5.6823 2.0850 -0.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 -2.3507 -0.6483 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5774 -0.7967 0.0656 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4024 -0.3829 0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 -0.0776 -0.6555 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3738 -1.4583 -0.0887 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6707 1.6552 -0.2751 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 -1.0329 1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1879 0.3077 -0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 -1.3975 1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 -0.0133 -1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 -0.5023 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6154 -0.3432 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7965 -0.2709 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4316 0.9639 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 -1.1708 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2363 -0.7214 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.4037 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 0.6001 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4595 1.2453 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9668 0.6988 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4453 -0.6171 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8225 1.0610 -0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0024 -1.3064 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6078 -0.0742 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8709 1.7575 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7906 -0.9207 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2184 1.4651 0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6689 0.1466 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3501 2.8545 0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -1.8600 1.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 -0.1448 1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 1.2421 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6912 0.4857 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 -1.4748 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8237 -2.3778 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.8524 -1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 0.8491 -1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0793 0.4006 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -1.3275 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 -1.2487 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 0.5000 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1779 -2.3841 0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6541 1.9888 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4282 -2.4672 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 2.0175 -0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6142 -2.1906 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6906 0.0013 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5346 2.7902 0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1437 -1.9462 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9212 2.2774 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7202 -0.0567 0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2567 3.2358 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 2.2568 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 3.7037 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 30 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 6 45 1 0 0 0 0 7 19 1 0 0 0 0 7 20 2 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 23 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 18 24 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 27 2 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$