REMARK Name = BDB059436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.452 0.067 -0.640 0.00 0.00 +0.104 C ATOM 2 C LIG 1 -0.321 -1.113 -0.104 0.00 0.00 +0.185 C ATOM 3 O LIG 1 -0.202 -2.196 -0.669 0.00 0.00 -0.291 OA ATOM 4 C LIG 1 -1.269 -0.891 1.088 0.00 0.00 +0.111 C ATOM 5 C LIG 1 -1.292 0.636 1.380 0.00 0.00 +0.163 C ATOM 6 C LIG 1 -1.478 1.468 0.103 0.00 0.00 +0.102 C ATOM 7 C LIG 1 -2.523 0.776 -0.629 0.00 0.00 +0.011 C ATOM 8 C LIG 1 -3.201 -0.533 -0.688 0.00 0.00 +0.019 C ATOM 9 C LIG 1 -1.661 2.883 0.282 0.00 0.00 +0.014 C ATOM 10 C LIG 1 -1.017 4.124 -0.162 0.00 0.00 +0.055 C ATOM 11 C LIG 1 -0.078 3.685 -1.386 0.00 0.00 +0.130 C ATOM 12 C LIG 1 1.024 4.766 -1.629 0.00 0.00 +0.043 C ATOM 13 C LIG 1 -0.900 3.434 -2.712 0.00 0.00 +0.043 C ATOM 14 O LIG 1 0.602 2.428 -1.024 0.00 0.00 -0.487 OA ATOM 15 O LIG 1 -1.109 1.145 2.482 0.00 0.00 -0.295 OA ATOM 16 C LIG 1 -2.737 -1.322 0.670 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -3.777 -0.865 1.814 0.00 0.00 +0.001 C ATOM 18 C LIG 1 -2.962 -2.881 0.516 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.119 1.293 -0.588 0.00 0.00 +0.127 C ENDROOT BRANCH 1 20 ATOM 20 C LIG 1 1.810 -0.129 -1.218 0.00 0.00 +0.200 C ATOM 21 O LIG 1 2.128 0.362 -2.293 0.00 0.00 -0.286 OA BRANCH 20 26 ATOM 22 C LIG 1 4.328 -2.688 1.097 0.00 0.00 +0.008 A ATOM 23 C LIG 1 3.407 -1.854 1.789 0.00 0.00 +0.183 A ATOM 24 O LIG 1 3.225 -1.869 3.050 0.00 0.00 -0.288 OA ATOM 25 C LIG 1 2.667 -0.978 0.977 0.00 0.00 +0.062 A ATOM 26 C LIG 1 2.739 -0.973 -0.426 0.00 0.00 +0.026 A ATOM 27 C LIG 1 3.653 -1.789 -1.078 0.00 0.00 +0.012 A ATOM 28 C LIG 1 4.450 -2.639 -0.316 0.00 0.00 +0.009 A BRANCH 22 30 ATOM 29 C LIG 1 4.927 -5.183 1.766 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.191 -3.631 1.858 0.00 0.00 +0.025 C ATOM 31 C LIG 1 6.732 -3.326 2.021 0.00 0.00 +0.005 C ENDBRANCH 22 30 ENDBRANCH 20 26 ENDBRANCH 1 20 BRANCH 8 32 ATOM 32 C LIG 1 -2.852 -1.227 -1.945 0.00 0.00 +0.021 C BRANCH 32 33 ATOM 33 C LIG 1 -2.482 -1.989 -3.247 0.00 0.00 -0.035 C ATOM 34 C LIG 1 -2.183 -2.636 -4.334 0.00 0.00 -0.048 C ATOM 35 C LIG 1 -1.206 -1.998 -5.335 0.00 0.00 +0.026 C ATOM 36 C LIG 1 -3.143 -3.732 -4.832 0.00 0.00 +0.026 C ENDBRANCH 32 33 ENDBRANCH 8 32 BRANCH 10 37 ATOM 37 C LIG 1 -1.996 5.187 -0.468 0.00 0.00 +0.025 C BRANCH 37 38 ATOM 38 C LIG 1 -3.036 6.291 -0.793 0.00 0.00 -0.035 C ATOM 39 C LIG 1 -3.915 7.208 -1.065 0.00 0.00 -0.048 C ATOM 40 C LIG 1 -5.340 6.801 -1.465 0.00 0.00 +0.026 C ATOM 41 C LIG 1 -3.575 8.687 -0.838 0.00 0.00 +0.026 C ENDBRANCH 37 38 ENDBRANCH 10 37 BRANCH 4 42 ATOM 42 C LIG 1 -0.708 -1.617 2.257 0.00 0.00 +0.040 C BRANCH 42 43 ATOM 43 C LIG 1 -0.005 -2.327 3.451 0.00 0.00 -0.034 C ATOM 44 C LIG 1 0.600 -2.908 4.452 0.00 0.00 -0.048 C ATOM 45 C LIG 1 0.410 -2.217 5.840 0.00 0.00 +0.026 C ATOM 46 C LIG 1 0.493 -4.464 4.494 0.00 0.00 +0.026 C ENDBRANCH 42 43 ENDBRANCH 4 42 TORSDOF 9