@MOLECULE DB02651 69 73 1 SMALL USER_CHARGES @ATOM 1 P1 -0.7450 -1.4802 7.8203 P 1 noname 0.0498 2 O1 -1.0292 -0.9396 9.1244 O.2 1 noname -0.2094 3 O2 -0.1344 -0.3811 6.9310 O.3 1 noname -0.1783 4 O3 -2.0494 -1.9919 7.1813 O.3 1 noname -0.1783 5 C1 0.3240 -2.7288 7.9635 C.3 1 noname 0.3751 6 F1 -0.2195 -3.7073 8.7553 F 1 noname -0.1845 7 F2 1.4853 -2.2733 8.5324 F 1 noname -0.1845 8 C2 0.6122 -3.2769 6.6413 C.2 1 noname -0.0228 9 C3 -0.1673 -4.3088 6.1317 C.2 1 noname -0.0334 10 C4 1.6660 -2.7667 5.8921 C.2 1 noname -0.0334 11 C5 0.1071 -4.8305 4.8729 C.2 1 noname -0.0525 12 C6 1.9403 -3.2885 4.6333 C.2 1 noname -0.0525 13 C7 1.1609 -4.3204 4.1237 C.2 1 noname -0.0534 14 C8 1.4490 -4.8684 2.8015 C.3 1 noname 0.0302 15 C9 1.3276 -3.7609 1.7529 C.3 1 noname 0.0160 16 N1 0.0179 -3.2390 1.7701 N.3 1 noname 0.0365 17 C10 1.6158 -4.3090 0.4307 C.2 1 noname -0.0314 18 C11 2.3254 -2.6456 2.0712 C.3 1 noname 0.0302 19 N2 -1.0812 -3.8992 1.5439 N.2 1 noname -0.2060 20 C12 -0.3292 -1.9738 2.0214 C.2 1 noname -0.0172 21 C13 2.6696 -3.7988 -0.3186 C.2 1 noname 0.0138 22 C14 0.8363 -5.3409 -0.0789 C.2 1 noname -0.0405 23 C15 3.6815 -3.1861 2.0534 C.2 1 noname -0.0534 24 N3 -2.1446 -3.1484 1.6136 N.2 1 noname -0.1514 25 C16 -1.7274 -1.9106 1.8809 C.2 1 noname 0.0472 26 C17 0.4547 -0.8424 2.3702 C.2 1 noname -0.0219 27 C18 2.9439 -4.3206 -1.5774 C.2 1 noname 0.0719 28 C19 1.1106 -5.8626 -1.3377 C.2 1 noname 0.0090 29 C20 4.7644 -2.3550 2.3157 C.2 1 noname -0.0525 30 C21 3.8898 -4.5317 1.7741 C.2 1 noname -0.0525 31 C22 -2.4421 -0.6877 2.0042 C.2 1 noname 0.0016 32 C23 -0.2486 0.3970 2.4797 C.2 1 noname -0.0451 33 F3 3.9303 -3.8431 -2.2786 F 1 noname -0.1511 34 C24 2.1644 -5.3525 -2.0870 C.2 1 noname 0.0650 35 C25 6.0555 -2.8696 2.2988 C.2 1 noname -0.0334 36 C26 5.1809 -5.0463 1.7571 C.2 1 noname -0.0334 37 C27 -1.6659 0.4732 2.2943 C.2 1 noname -0.0414 38 F4 2.4212 -5.8408 -3.2652 F 1 noname -0.1516 39 C28 6.2638 -4.2152 2.0195 C.2 1 noname -0.0228 40 C29 7.6199 -4.7557 2.0017 C.3 1 noname 0.3751 41 P2 8.2432 -4.6274 0.4793 P 1 noname 0.0498 42 F5 8.4044 -4.0507 2.8776 F 1 noname -0.1845 43 F6 7.5911 -6.0749 2.3739 F 1 noname -0.1845 44 O4 9.5808 -5.1604 0.4618 O.2 1 noname -0.2094 45 O5 7.3621 -5.4192 -0.5046 O.3 1 noname -0.1783 46 O6 8.2757 -3.1456 0.0612 O.3 1 noname -0.1783 47 H1 0.2463 0.3042 7.4852 H 1 noname 0.2261 48 H2 -2.6701 -2.2354 7.8720 H 1 noname 0.2261 49 H3 -0.9937 -4.7088 6.7193 H 1 noname 0.0628 50 H4 2.2772 -1.9575 6.2917 H 1 noname 0.0628 51 H5 -0.5042 -5.6397 4.4733 H 1 noname 0.0625 52 H6 2.7667 -2.8884 4.0458 H 1 noname 0.0625 53 H7 2.4922 -5.1834 2.8284 H 1 noname 0.0342 54 H8 0.6644 -5.5982 2.6020 H 1 noname 0.0342 55 H9 2.2805 -1.9216 1.2575 H 1 noname 0.0342 56 H10 2.1441 -2.3245 3.0969 H 1 noname 0.0342 57 H11 3.2808 -2.9896 0.0811 H 1 noname 0.0658 58 H12 0.0099 -5.7409 0.5086 H 1 noname 0.0627 59 H13 1.5281 -0.9203 2.5430 H 1 noname 0.0643 60 H14 0.4994 -6.6718 -1.7374 H 1 noname 0.0654 61 H15 4.6011 -1.2998 2.5347 H 1 noname 0.0625 62 H16 3.0406 -5.1834 1.5684 H 1 noname 0.0625 63 H17 -3.5244 -0.6428 1.8831 H 1 noname 0.0646 64 H18 0.3089 1.3049 2.7099 H 1 noname 0.0623 65 H19 6.9047 -2.2179 2.5045 H 1 noname 0.0628 66 H20 5.3442 -6.1015 1.5381 H 1 noname 0.0628 67 H21 -2.1662 1.4382 2.3759 H 1 noname 0.0623 68 H22 6.7489 -5.9703 -0.0128 H 1 noname 0.2261 69 H23 8.2878 -2.5920 0.8454 H 1 noname 0.2261 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 2 9 8 10 1 10 9 11 1 11 10 12 2 12 11 13 2 13 12 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 15 17 1 18 15 18 1 19 16 19 1 20 16 20 1 21 17 21 2 22 17 22 1 23 18 23 1 24 19 24 2 25 20 25 2 26 20 26 1 27 21 27 1 28 22 28 2 29 23 29 2 30 23 30 1 31 24 25 1 32 25 31 1 33 26 32 2 34 27 33 1 35 27 34 2 36 28 34 1 37 29 35 1 38 30 36 2 39 31 37 2 40 32 37 1 41 34 38 1 42 35 39 2 43 36 39 1 44 39 40 1 45 40 41 1 46 40 42 1 47 40 43 1 48 41 44 2 49 41 45 1 50 41 46 1 51 3 47 1 52 4 48 1 53 9 49 1 54 10 50 1 55 11 51 1 56 12 52 1 57 14 53 1 58 14 54 1 59 18 55 1 60 18 56 1 61 21 57 1 62 22 58 1 63 26 59 1 64 28 60 1 65 29 61 1 66 30 62 1 67 31 63 1 68 32 64 1 69 35 65 1 70 36 66 1 71 37 67 1 72 45 68 1 73 46 69 1 @SUBSTRUCTURE 1 noname 1