REMARK Name = BDB011099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.559 -0.123 -1.233 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.474 -0.956 -0.991 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.203 -2.007 -1.847 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.877 -2.725 -1.436 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.280 -2.159 -0.313 0.00 0.00 +0.144 A ATOM 6 N LIG 1 0.918 -2.295 -2.946 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.941 -1.435 -3.114 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.525 -1.026 -0.046 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.292 -0.393 -2.334 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.404 -2.644 0.487 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -3.681 -2.716 -0.086 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -4.776 -3.183 0.654 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -6.145 -3.222 0.044 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -4.582 -3.570 1.985 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -3.310 -3.526 2.555 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.223 -3.073 1.807 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 1 18 ATOM 17 C LIG 1 3.266 0.754 0.184 0.00 0.00 +0.075 C ATOM 18 N LIG 1 1.899 0.947 -0.388 0.00 0.00 -0.310 N ATOM 19 C LIG 1 1.912 2.216 -1.159 0.00 0.00 +0.107 C ATOM 20 C LIG 1 3.373 2.631 -1.260 0.00 0.00 +0.021 C ATOM 21 C LIG 1 3.936 2.126 0.052 0.00 0.00 +0.024 C BRANCH 17 22 ATOM 22 C LIG 1 3.156 0.275 1.638 0.00 0.00 +0.022 C BRANCH 22 24 ATOM 23 C LIG 1 5.419 -0.900 1.749 0.00 0.00 +0.004 C ATOM 24 C LIG 1 4.491 0.131 2.373 0.00 0.00 -0.002 C ENDBRANCH 22 24 ENDBRANCH 17 22 ENDBRANCH 1 18 BRANCH 7 25 ATOM 25 C LIG 1 2.784 -1.706 -4.331 0.00 0.00 +0.375 C ATOM 26 O LIG 1 3.760 -1.065 -4.684 0.00 0.00 -0.242 OA BRANCH 25 27 ATOM 27 O LIG 1 2.317 -2.788 -5.018 0.00 0.00 -0.475 OA ATOM 28 H LIG 1 1.524 -3.159 -4.563 0.00 0.00 +0.296 HD ENDBRANCH 25 27 ENDBRANCH 7 25 BRANCH 8 29 ATOM 29 C LIG 1 -0.759 -0.066 1.025 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -1.420 1.214 0.562 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.985 2.438 1.092 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -1.596 3.638 0.721 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -2.673 3.642 -0.175 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -3.118 2.420 -0.697 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -2.507 1.220 -0.324 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -3.316 4.941 -0.593 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -2.658 5.534 -1.627 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -3.346 5.865 0.408 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -4.606 4.796 -1.003 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 9