REMARK Name = BDB031753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.692 0.218 2.716 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.122 -0.896 2.068 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.017 -0.704 1.279 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.633 0.529 1.116 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.747 0.281 0.251 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.793 -1.006 -0.107 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.084 1.642 1.778 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.762 -1.571 0.531 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.614 -2.565 0.407 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.064 1.466 2.568 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.576 -0.694 -0.846 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.117 -0.150 0.363 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.537 -0.704 1.564 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.257 -0.383 3.005 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.923 0.054 3.576 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.104 -1.373 3.771 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.747 -2.167 2.837 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.381 -2.906 3.096 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.187 -1.442 4.986 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.079 1.030 3.478 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.429 -1.785 1.532 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.904 -2.343 0.364 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.464 -1.785 -0.840 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.462 -0.610 -3.223 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.089 -0.069 -1.963 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.579 1.274 -0.137 0.00 0.00 -0.278 N ATOM 27 H LIG 1 -2.428 2.208 0.224 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.845 1.206 -0.765 0.00 0.00 +0.187 A ATOM 29 C LIG 1 -4.426 2.400 -1.242 0.00 0.00 +0.256 A ATOM 30 N LIG 1 -5.617 2.453 -1.881 0.00 0.00 -0.217 NA ATOM 31 C LIG 1 -6.215 1.250 -2.048 0.00 0.00 +0.138 A ATOM 32 C LIG 1 -5.681 0.039 -1.603 0.00 0.00 +0.065 A ATOM 33 N LIG 1 -4.490 0.030 -0.951 0.00 0.00 -0.230 NA BRANCH 32 34 ATOM 34 C LIG 1 -6.410 -1.264 -1.817 0.00 0.00 +0.039 C ATOM 35 C LIG 1 -5.635 -2.511 -2.180 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -6.511 -1.855 -3.205 0.00 0.00 +0.010 C ENDBRANCH 32 34 BRANCH 29 37 ATOM 37 O LIG 1 -3.732 3.579 -0.998 0.00 0.00 -0.477 OA ATOM 38 C LIG 1 -4.355 4.719 -1.581 0.00 0.00 +0.279 C ENDBRANCH 29 37 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6