REMARK Name = BDB063651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.151 2.715 -0.511 0.00 0.00 +0.124 C ATOM 2 C LIG 1 0.598 1.605 0.028 0.00 0.00 +0.044 C ATOM 3 C LIG 1 1.342 0.529 0.770 0.00 0.00 +0.082 C ATOM 4 C LIG 1 0.673 0.138 2.103 0.00 0.00 +0.132 C ATOM 5 C LIG 1 -0.899 -0.038 1.995 0.00 0.00 +0.211 C ATOM 6 C LIG 1 -1.504 0.196 0.595 0.00 0.00 +0.097 C ATOM 7 C LIG 1 -1.266 -1.180 -0.112 0.00 0.00 +0.082 C ATOM 8 C LIG 1 -0.594 -2.042 0.976 0.00 0.00 +0.132 C ATOM 9 C LIG 1 -1.027 -3.505 0.909 0.00 0.00 +0.048 C ATOM 10 C LIG 1 0.979 -1.852 1.055 0.00 0.00 +0.211 C ATOM 11 C LIG 1 -0.525 -1.189 -1.420 0.00 0.00 +0.044 C ATOM 12 C LIG 1 0.949 -0.951 -1.327 0.00 0.00 +0.175 C ATOM 13 O LIG 1 1.602 -0.783 -2.358 0.00 0.00 -0.291 OA ATOM 14 C LIG 1 -1.087 -1.364 -2.637 0.00 0.00 +0.124 C ATOM 15 C LIG 1 -3.030 0.450 0.683 0.00 0.00 +0.026 C ATOM 16 O LIG 1 -1.173 -1.450 2.175 0.00 0.00 -0.333 OA ATOM 17 O LIG 1 1.255 -1.183 2.310 0.00 0.00 -0.333 OA ATOM 18 C LIG 1 1.108 1.036 3.259 0.00 0.00 +0.048 C ATOM 19 C LIG 1 1.580 -0.843 0.054 0.00 0.00 +0.097 C ATOM 20 C LIG 1 3.107 -1.060 -0.105 0.00 0.00 +0.026 C ATOM 21 C LIG 1 -0.874 1.381 -0.122 0.00 0.00 +0.175 C ATOM 22 O LIG 1 -1.526 2.114 -0.867 0.00 0.00 -0.291 OA ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 3.184 3.410 0.699 0.00 0.00 +0.003 C ATOM 24 C LIG 1 2.550 3.071 -0.435 0.00 0.00 +0.046 C BRANCH 23 27 ATOM 25 C LIG 1 6.656 4.491 1.938 0.00 0.00 +0.035 C ATOM 26 C LIG 1 5.213 4.106 1.874 0.00 0.00 -0.030 C ATOM 27 C LIG 1 4.579 3.781 0.738 0.00 0.00 -0.004 C ENDBRANCH 23 27 ENDBRANCH 1 24 BRANCH 10 28 ATOM 28 O LIG 1 1.676 -3.075 1.067 0.00 0.00 -0.362 OA ATOM 29 H LIG 1 1.550 -3.425 1.969 0.00 0.00 +0.213 HD ENDBRANCH 10 28 BRANCH 14 30 ATOM 30 C LIG 1 -2.494 -1.593 -2.877 0.00 0.00 +0.046 C ATOM 31 C LIG 1 -3.150 -2.712 -2.530 0.00 0.00 +0.003 C BRANCH 31 32 ATOM 32 C LIG 1 -4.546 -2.957 -2.808 0.00 0.00 -0.004 C ATOM 33 C LIG 1 -5.530 -2.077 -2.571 0.00 0.00 -0.030 C ATOM 34 C LIG 1 -6.974 -2.351 -2.843 0.00 0.00 +0.035 C ENDBRANCH 31 32 ENDBRANCH 14 30 BRANCH 14 35 ATOM 35 O LIG 1 -0.395 -1.302 -3.826 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 0.545 -1.086 -3.638 0.00 0.00 +0.292 HD ENDBRANCH 14 35 BRANCH 5 37 ATOM 37 O LIG 1 -1.595 0.658 3.003 0.00 0.00 -0.362 OA ATOM 38 H LIG 1 -1.471 0.121 3.807 0.00 0.00 +0.213 HD ENDBRANCH 5 37 BRANCH 1 39 ATOM 39 O LIG 1 0.454 3.648 -1.248 0.00 0.00 -0.506 OA ATOM 40 H LIG 1 -0.480 3.353 -1.334 0.00 0.00 +0.292 HD ENDBRANCH 1 39 TORSDOF 8