REMARK Name = BDB048648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.839 0.947 0.310 0.00 0.00 +0.209 A ATOM 2 C LIG 1 -1.315 2.321 0.252 0.00 0.00 +0.177 A ATOM 3 C LIG 1 -2.458 2.611 -0.396 0.00 0.00 +0.109 A ATOM 4 C LIG 1 -3.242 1.538 -0.999 0.00 0.00 +0.147 A ATOM 5 C LIG 1 -4.362 1.798 -1.688 0.00 0.00 +0.092 A ATOM 6 C LIG 1 -4.835 3.145 -1.863 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -4.216 4.198 -1.317 0.00 0.00 +0.097 A ATOM 8 O LIG 1 -2.828 0.222 -0.813 0.00 0.00 -0.451 OA ATOM 9 C LIG 1 -2.984 4.015 -0.502 0.00 0.00 +0.197 A ATOM 10 O LIG 1 -2.482 5.001 0.025 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -1.630 -0.041 -0.154 0.00 0.00 +0.181 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 -1.331 -1.476 -0.034 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -1.129 -2.064 1.224 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -0.873 -3.434 1.337 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -0.829 -4.217 0.189 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -1.041 -3.655 -1.064 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -1.296 -2.286 -1.176 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -0.580 -5.555 0.251 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -0.509 -5.816 1.184 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 11 12 BRANCH 2 20 ATOM 20 O LIG 1 -0.548 3.252 0.914 0.00 0.00 -0.503 OA ATOM 21 H LIG 1 -0.039 2.781 1.597 0.00 0.00 +0.292 HD ENDBRANCH 2 20 BRANCH 6 22 ATOM 22 O LIG 1 -5.975 3.244 -2.622 0.00 0.00 -0.507 OA ATOM 23 H LIG 1 -6.228 4.180 -2.692 0.00 0.00 +0.292 HD ENDBRANCH 6 22 BRANCH 1 24 ATOM 24 O LIG 1 0.391 0.744 0.913 0.00 0.00 -0.453 OA BRANCH 24 30 ATOM 25 C LIG 1 2.695 -2.344 -1.021 0.00 0.00 +0.041 C ATOM 26 C LIG 1 2.393 -1.219 -0.035 0.00 0.00 +0.150 C ATOM 27 C LIG 1 3.659 -0.776 0.712 0.00 0.00 +0.174 C ATOM 28 C LIG 1 3.318 0.415 1.612 0.00 0.00 +0.180 C ATOM 29 C LIG 1 2.682 1.542 0.800 0.00 0.00 +0.214 C ATOM 30 C LIG 1 1.477 1.011 -0.005 0.00 0.00 +0.339 C ATOM 31 O LIG 1 1.823 -0.145 -0.785 0.00 0.00 -0.334 OA BRANCH 27 32 ATOM 32 O LIG 1 4.192 -1.812 1.549 0.00 0.00 -0.387 OA ATOM 33 H LIG 1 4.555 -2.498 0.961 0.00 0.00 +0.210 HD ENDBRANCH 27 32 BRANCH 28 34 ATOM 34 O LIG 1 4.522 0.903 2.231 0.00 0.00 -0.386 OA ATOM 35 H LIG 1 4.952 0.105 2.601 0.00 0.00 +0.210 HD ENDBRANCH 28 34 BRANCH 29 36 ATOM 36 O LIG 1 3.680 2.107 -0.066 0.00 0.00 -0.383 OA ATOM 37 H LIG 1 4.465 2.236 0.506 0.00 0.00 +0.210 HD ENDBRANCH 29 36 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 9