REMARK Name = BDB055048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.151 0.935 -1.146 0.00 0.00 +0.268 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.348 -2.038 -0.299 0.00 0.00 +0.086 C ATOM 3 C LIG 1 1.902 -0.674 -0.151 0.00 0.00 +0.109 A ATOM 4 C LIG 1 1.442 0.587 -0.486 0.00 0.00 +0.031 A ATOM 5 C LIG 1 2.458 1.489 -0.057 0.00 0.00 +0.061 A ATOM 6 C LIG 1 3.467 0.731 0.503 0.00 0.00 +0.190 A ATOM 7 O LIG 1 3.125 -0.594 0.445 0.00 0.00 -0.455 OA BRANCH 6 8 ATOM 8 C LIG 1 4.728 1.117 1.093 0.00 0.00 +0.277 C ATOM 9 O LIG 1 5.129 2.273 1.191 0.00 0.00 -0.267 OA ATOM 10 N LIG 1 5.488 0.082 1.560 0.00 0.00 -0.323 N ATOM 11 H LIG 1 5.159 -0.871 1.487 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 6.378 0.287 1.989 0.00 0.00 +0.145 HD ENDBRANCH 6 8 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 O LIG 1 -0.912 0.904 -0.182 0.00 0.00 -0.487 OA BRANCH 13 14 ATOM 14 C LIG 1 -2.133 0.619 -0.739 0.00 0.00 +0.133 A ATOM 15 C LIG 1 -2.906 -0.440 -0.232 0.00 0.00 +0.078 A ATOM 16 C LIG 1 -4.152 -0.713 -0.822 0.00 0.00 +0.017 A ATOM 17 C LIG 1 -4.633 0.070 -1.873 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -3.877 1.138 -2.345 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -2.633 1.418 -1.777 0.00 0.00 +0.046 A BRANCH 15 20 ATOM 20 C LIG 1 -2.490 -1.325 0.896 0.00 0.00 +0.245 C ATOM 21 O LIG 1 -3.083 -2.369 1.146 0.00 0.00 -0.270 OA ATOM 22 N LIG 1 -1.431 -0.938 1.664 0.00 0.00 -0.325 N ATOM 23 H LIG 1 -1.166 -1.513 2.450 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -0.931 -0.073 1.491 0.00 0.00 +0.145 HD ENDBRANCH 15 20 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 5