B53QMD -OEChem-04042106053D 67 72 0 0 0 0 0 0 0999 V2000 -5.0963 -4.1416 -2.6535 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0138 3.5714 0.8015 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 5.1198 -0.6586 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 -2.4602 2.3944 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 2.7396 -1.2896 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 -0.4430 -1.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -2.7302 0.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6460 1.7016 -0.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4906 -0.5002 -1.2804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 -0.4831 1.5865 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 -3.0104 -0.2241 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 0.6540 0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -0.7011 2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4117 -1.2340 1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2541 0.9041 0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 -2.5572 0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 1.7424 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3885 -0.0040 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 2.6709 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 -1.4332 1.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 -1.1629 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 2.1818 -0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -4.4469 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 -2.2483 -1.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 1.9976 0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1296 -4.8938 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2535 -2.7468 -2.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8127 3.8371 -0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5966 0.2228 -0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 3.1627 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 -2.0760 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1014 4.0521 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -0.6890 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5082 -1.8358 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0896 4.8085 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5071 0.7586 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4593 -2.5265 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9819 0.5456 -0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0674 1.6534 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 -1.4535 3.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 0.1952 2.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6436 -0.4992 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 -1.3655 1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9066 -3.2965 1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 -2.4857 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0716 -5.0266 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0372 -4.6561 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 -2.3645 -1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2973 -1.1805 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7265 1.3787 1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 -5.9494 -1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1147 -4.7865 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 -2.5657 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2154 -2.2217 -3.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 4.5274 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 1.1046 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2179 -2.9771 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9184 4.7409 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2971 5.6232 0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 1.5607 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 1.0239 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9481 -1.5518 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -3.3070 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 -2.6019 2.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 2.6330 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3238 1.4386 -1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4985 0.9013 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 30 1 0 0 0 0 2 35 1 0 0 0 0 3 32 1 0 0 0 0 3 35 1 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 33 1 0 0 0 0 6 36 1 0 0 0 0 7 34 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 38 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 22 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 25 2 0 0 0 0 18 21 1 0 0 0 0 18 29 2 0 0 0 0 19 22 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 21 31 2 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 30 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 33 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 33 34 2 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 38 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 M END $$$$