LDA23G -OEChem-05022323183D 44 47 0 0 0 0 0 0 0999 V2000 3.1172 1.9526 -1.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 4.3680 0.9417 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 0.8054 -2.1063 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2848 -2.2875 -0.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2991 -1.8416 -2.5745 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 1.1872 -0.9351 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 0.2677 -1.9436 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 2.0075 2.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 1.9941 1.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 2.0939 1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4822 0.7287 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 0.7769 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9614 1.9255 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 -0.5227 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 3.1771 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 0.9776 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 3.1469 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 -1.8541 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 -0.4623 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -0.1651 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 0.7945 -1.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9766 -2.6526 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3378 -2.3276 1.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 -1.2119 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 -0.9552 -1.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -3.9248 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9874 -3.5998 2.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1315 -4.3984 1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 2.8498 2.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5682 1.1134 2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 2.0948 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9211 3.0587 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 -0.1347 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.0593 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8712 -1.3538 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0794 2.0716 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0281 -0.3534 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5718 -2.2973 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 -1.7173 2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 0.5468 -2.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 5.0741 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 -4.5461 -0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -3.9684 3.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 -5.3887 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 41 1 0 0 0 0 3 21 2 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 36 1 0 0 0 0 7 25 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 17 2 0 0 0 0 16 20 2 0 0 0 0 17 34 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 24 1 0 0 0 0 20 37 1 0 0 0 0 22 26 1 0 0 0 0 22 38 1 0 0 0 0 23 27 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$