REMARK Name = BDB061236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.089 -2.507 -0.159 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -2.172 -2.135 0.671 0.00 0.00 +0.154 A ATOM 3 C LIG 1 -2.710 -3.025 1.610 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -3.837 -2.553 2.450 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.290 -1.169 2.235 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.701 -0.417 1.298 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -4.406 -3.231 3.295 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.166 -4.310 1.725 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -1.098 -4.703 0.917 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.655 -0.854 0.512 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.570 -3.805 -0.011 0.00 0.00 +0.132 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 1.330 -0.133 -1.886 0.00 0.00 +0.018 A ATOM 13 C LIG 1 0.777 -1.045 -0.973 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -0.521 -1.560 -1.139 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -1.268 -1.135 -2.249 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -0.737 -0.222 -3.160 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.553 0.278 -2.978 0.00 0.00 +0.011 A BRANCH 12 26 ATOM 18 O LIG 1 5.723 1.097 -3.326 0.00 0.00 -0.287 OA ATOM 19 C LIG 1 4.929 1.011 -2.399 0.00 0.00 +0.197 A ATOM 20 C LIG 1 5.222 1.398 -1.000 0.00 0.00 +0.105 A ATOM 21 C LIG 1 4.206 1.234 -0.054 0.00 0.00 +0.146 A ATOM 22 C LIG 1 4.416 1.577 1.282 0.00 0.00 +0.092 A ATOM 23 C LIG 1 5.647 2.087 1.674 0.00 0.00 +0.124 A ATOM 24 C LIG 1 6.674 2.261 0.752 0.00 0.00 +0.091 A ATOM 25 O LIG 1 2.962 0.737 -0.357 0.00 0.00 -0.454 OA ATOM 26 C LIG 1 2.691 0.391 -1.668 0.00 0.00 +0.139 A ATOM 27 C LIG 1 6.459 1.915 -0.587 0.00 0.00 +0.135 A ATOM 28 C LIG 1 3.576 0.489 -2.668 0.00 0.00 +0.098 A BRANCH 23 29 ATOM 29 O LIG 1 5.808 2.409 2.989 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 6.702 2.761 3.130 0.00 0.00 +0.292 HD ENDBRANCH 23 29 BRANCH 27 31 ATOM 31 O LIG 1 7.476 2.091 -1.481 0.00 0.00 -0.506 OA ATOM 32 H LIG 1 8.260 2.460 -1.047 0.00 0.00 +0.292 HD ENDBRANCH 27 31 ENDBRANCH 12 26 ENDBRANCH 1 14 BRANCH 6 33 ATOM 33 C LIG 1 -4.108 0.980 1.032 0.00 0.00 +0.018 A ATOM 34 C LIG 1 -3.142 1.935 0.675 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -3.506 3.256 0.405 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -4.839 3.633 0.483 0.00 0.00 +0.117 A ATOM 37 C LIG 1 -5.819 2.707 0.822 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -5.453 1.384 1.092 0.00 0.00 +0.015 A BRANCH 36 39 ATOM 39 O LIG 1 -5.151 4.931 0.211 0.00 0.00 -0.507 OA ATOM 40 H LIG 1 -6.110 5.048 0.306 0.00 0.00 +0.292 HD ENDBRANCH 36 39 ENDBRANCH 6 33 BRANCH 8 41 ATOM 41 O LIG 1 -2.666 -5.204 2.629 0.00 0.00 -0.506 OA ATOM 42 H LIG 1 -2.181 -6.043 2.597 0.00 0.00 +0.292 HD ENDBRANCH 8 41 BRANCH 11 43 ATOM 43 O LIG 1 0.477 -4.199 -0.803 0.00 0.00 -0.506 OA ATOM 44 H LIG 1 0.701 -5.127 -0.625 0.00 0.00 +0.292 HD ENDBRANCH 11 43 TORSDOF 8