56846650 -OEChem-05132407003D 91 92 0 1 0 0 0 0 0999 V2000 4.7890 -0.8420 1.4362 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.8069 -1.7539 0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 0.2490 -0.4528 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0915 -2.8773 1.5957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1752 4.3396 -0.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 2.7305 0.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9011 0.5459 -0.2969 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 -2.6670 -0.5055 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0195 2.7455 -1.6381 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6585 -1.3670 0.2757 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9681 -1.3854 0.3929 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.0476 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8023 -0.9522 -2.2086 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2365 -3.4888 -0.1396 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0139 -2.2503 -1.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 -2.8207 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 0.3147 -1.8378 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0220 -0.9765 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4889 0.9883 -0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 0.8876 1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6337 -1.9677 2.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7902 0.4381 2.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 1.6000 -1.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 -0.9381 -3.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 -4.8779 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1139 -2.3968 0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 -1.4551 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -0.1596 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2937 -1.8580 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 0.7387 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3363 -0.9660 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2603 3.3856 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 0.3295 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 3.2382 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8384 -0.6201 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 4.8850 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3166 -0.8773 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8174 6.0692 1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2816 -1.9947 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7306 -0.2063 1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9401 6.1657 1.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -0.9619 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 -3.5913 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0345 -2.1341 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 -3.0851 -2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -3.5671 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 -2.4550 1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1128 0.3776 -2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 -0.4659 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 -1.6039 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 -1.6413 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2628 1.5055 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8659 0.4377 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8673 1.7617 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 1.4096 0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5190 0.2710 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4354 1.6558 1.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 -2.4492 3.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3119 -1.4006 3.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2077 -2.7508 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4161 0.9721 3.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -0.0463 2.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 1.1666 1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1866 1.7376 -3.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6646 1.5601 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 -0.8498 -4.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7413 -1.8605 -3.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.1121 -3.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0828 -5.3011 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -5.5537 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 -4.8990 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5101 -2.8630 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 1.7550 -0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9722 3.7787 -3.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 4.2040 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 2.6350 -3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8141 1.0761 -0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7847 -2.3231 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 4.1142 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 5.2058 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8301 -2.3163 0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3365 -0.1230 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 6.8988 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2965 -2.7817 0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9863 -2.4592 -1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3006 -1.6106 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7073 -0.9145 2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0535 0.6181 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7442 0.2010 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 7.0552 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2624 5.3671 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 3 28 1 0 0 0 0 4 26 2 0 0 0 0 5 34 1 0 0 0 0 5 36 1 0 0 0 0 6 34 2 0 0 0 0 7 35 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 26 1 0 0 0 0 9 23 1 0 0 0 0 9 32 1 0 0 0 0 9 34 1 0 0 0 0 10 31 1 0 0 0 0 10 35 1 0 0 0 0 10 78 1 0 0 0 0 11 35 1 0 0 0 0 11 37 1 0 0 0 0 11 81 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 23 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 72 1 0 0 0 0 30 33 2 0 0 0 0 30 73 1 0 0 0 0 31 33 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 36 38 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 37 82 1 0 0 0 0 38 41 2 0 0 0 0 38 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 M END > 56846650 > 1.4 > 1 15 3 13 5 14 9 11 10 18 8 17 6 7 4 2 16 12 19 > 41 1 0.54 10 -0.55 11 -0.73 12 -0.08 14 0.3 15 0.3 16 0.28 17 0.28 2 -0.58 21 -0.08 22 -0.08 23 0.3 26 0.54 27 0.09 28 0.08 29 -0.15 3 -0.36 30 -0.15 31 0.12 32 0.3 33 -0.15 34 0.78 35 0.69 36 0.42 37 0.3 38 -0.29 4 -0.57 41 -0.3 5 -0.43 6 -0.57 7 -0.57 72 0.15 73 0.15 77 0.15 78 0.37 8 -0.66 81 0.37 83 0.15 9 -0.66 90 0.15 91 0.15 > 16 > 10 1 10 donor 1 11 donor 1 3 acceptor 1 4 acceptor 1 41 hydrophobe 1 6 acceptor 1 7 acceptor 3 37 39 40 hydrophobe 4 12 18 19 20 hydrophobe 6 27 28 29 30 31 33 rings > 41 > 3 > 0 > 0 > 0 > 0 > 1 > 3 > 0363693A00000001 > 108.7484 > 50.797 > 10162869 55 18336259146490193191 10165383 225 18413103983948106066 10675989 125 17985000430054221001 11456790 92 18334588953920059417 11578080 2 15481570593353710571 12788726 201 18411147939766497308 13835254 42 18268995280433401761 14955137 171 18337390543063033330 17980427 23 18058436767742057735 18365409 1 17488170677341400399 19309040 13 15695157548106196184 19315092 285 15793392082870522530 21033648 29 18199736111488443290 21344244 78 18410290281461351395 24771293 8 18409165498499564107 3178227 256 18186527622500679579 376196 1 17624142998354883293 56638632 10 18124292055579575364 6004065 56 18408884070704144651 6086070 43 18194135212003978947 9962374 69 18261668290467487235 > 806.83 17.93 6.77 2.44 37.36 12.37 1.4 -11.62 -9.42 0.9 -2.65 -2.83 0.69 -1.07 > 1618.846 > 479.8 > 2 5 10 $$$$