REMARK Name = BDB061239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.191 -2.407 -0.242 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -2.366 -1.979 0.418 0.00 0.00 +0.154 A ATOM 3 C LIG 1 -3.040 -2.812 1.321 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -4.259 -2.284 1.978 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.654 -0.907 1.636 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.932 -0.212 0.751 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -4.948 -2.911 2.772 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.539 -4.096 1.572 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -1.381 -4.542 0.934 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.800 -0.703 0.132 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.718 -3.701 0.040 0.00 0.00 +0.132 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.271 1.174 0.365 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.244 2.099 0.103 0.00 0.00 +0.014 A ATOM 14 C LIG 1 -3.540 3.410 -0.278 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -4.865 3.803 -0.407 0.00 0.00 +0.123 A ATOM 16 F LIG 1 -5.150 5.058 -0.774 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -5.900 2.908 -0.165 0.00 0.00 +0.039 A ATOM 18 C LIG 1 -5.604 1.596 0.217 0.00 0.00 +0.014 A ENDBRANCH 6 12 BRANCH 1 21 ATOM 19 C LIG 1 1.469 -0.147 -1.753 0.00 0.00 +0.018 A ATOM 20 C LIG 1 0.786 -1.003 -0.873 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -0.484 -1.519 -1.186 0.00 0.00 -0.010 A ATOM 22 C LIG 1 -1.067 -1.155 -2.409 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -0.407 -0.297 -3.288 0.00 0.00 +0.001 A ATOM 24 C LIG 1 0.852 0.206 -2.961 0.00 0.00 +0.011 A BRANCH 19 33 ATOM 25 O LIG 1 6.073 0.986 -2.581 0.00 0.00 -0.287 OA ATOM 26 C LIG 1 5.112 0.933 -1.821 0.00 0.00 +0.197 A ATOM 27 C LIG 1 5.216 1.395 -0.432 0.00 0.00 +0.105 A ATOM 28 C LIG 1 4.087 1.306 0.379 0.00 0.00 +0.146 A ATOM 29 C LIG 1 4.145 1.735 1.704 0.00 0.00 +0.092 A ATOM 30 C LIG 1 5.338 2.249 2.206 0.00 0.00 +0.124 A ATOM 31 C LIG 1 6.473 2.344 1.406 0.00 0.00 +0.091 A ATOM 32 O LIG 1 2.888 0.807 -0.065 0.00 0.00 -0.454 OA ATOM 33 C LIG 1 2.796 0.380 -1.381 0.00 0.00 +0.139 A ATOM 34 C LIG 1 6.409 1.914 0.083 0.00 0.00 +0.135 A ATOM 35 C LIG 1 3.811 0.406 -2.256 0.00 0.00 +0.098 A BRANCH 30 36 ATOM 36 O LIG 1 5.352 2.657 3.508 0.00 0.00 -0.507 OA ATOM 37 H LIG 1 6.238 2.996 3.720 0.00 0.00 +0.292 HD ENDBRANCH 30 36 BRANCH 34 38 ATOM 38 O LIG 1 7.554 2.028 -0.659 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 7.367 1.691 -1.565 0.00 0.00 +0.292 HD ENDBRANCH 34 38 ENDBRANCH 19 33 ENDBRANCH 1 21 BRANCH 8 40 ATOM 40 O LIG 1 -3.170 -4.934 2.446 0.00 0.00 -0.506 OA ATOM 41 H LIG 1 -2.701 -5.780 2.522 0.00 0.00 +0.292 HD ENDBRANCH 8 40 BRANCH 11 42 ATOM 42 O LIG 1 0.416 -4.147 -0.585 0.00 0.00 -0.506 OA ATOM 43 H LIG 1 0.597 -5.067 -0.332 0.00 0.00 +0.292 HD ENDBRANCH 11 42 TORSDOF 7