REMARK Name = BDB063255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.748 -1.380 -1.141 0.00 0.00 +0.020 C ATOM 2 C LIG 1 -0.483 -0.855 -1.223 0.00 0.00 +0.078 C ATOM 3 C LIG 1 -1.644 -1.653 -1.705 0.00 0.00 +0.259 C ATOM 4 O LIG 1 -1.565 -2.819 -2.068 0.00 0.00 -0.269 OA ATOM 5 N LIG 1 -2.786 -0.883 -1.685 0.00 0.00 -0.242 N ATOM 6 C LIG 1 -2.654 0.412 -1.256 0.00 0.00 +0.169 C ATOM 7 N LIG 1 -3.658 1.224 -1.205 0.00 0.00 -0.225 NA ATOM 8 S LIG 1 -0.988 0.739 -0.828 0.00 0.00 -0.049 S ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -3.481 2.535 -0.746 0.00 0.00 +0.067 A ATOM 10 C LIG 1 -3.239 3.572 -1.652 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -3.087 4.884 -1.199 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -3.191 5.168 0.162 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -3.452 4.142 1.069 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -3.604 2.831 0.615 0.00 0.00 +0.028 A ENDBRANCH 7 9 BRANCH 1 16 ATOM 15 C LIG 1 3.143 -1.308 -0.637 0.00 0.00 +0.008 C ATOM 16 C LIG 1 1.946 -0.702 -0.687 0.00 0.00 +0.002 C BRANCH 15 20 ATOM 17 C LIG 1 6.843 0.526 0.699 0.00 0.00 +0.029 A ATOM 18 C LIG 1 6.508 -0.808 0.986 0.00 0.00 +0.023 A ATOM 19 C LIG 1 5.308 -1.394 0.551 0.00 0.00 +0.010 A ATOM 20 C LIG 1 4.375 -0.654 -0.175 0.00 0.00 -0.025 A ATOM 21 C LIG 1 4.681 0.672 -0.474 0.00 0.00 +0.010 A ATOM 22 C LIG 1 5.886 1.247 -0.036 0.00 0.00 +0.023 A BRANCH 17 24 ATOM 23 C LIG 1 8.459 2.385 0.575 0.00 0.00 +0.129 C ATOM 24 N LIG 1 8.033 1.110 1.149 0.00 0.00 -0.336 N ATOM 25 C LIG 1 9.106 0.246 1.637 0.00 0.00 +0.129 C ENDBRANCH 17 24 ENDBRANCH 15 20 ENDBRANCH 1 16 BRANCH 5 26 ATOM 26 C LIG 1 -4.064 -1.449 -2.075 0.00 0.00 +0.151 C BRANCH 26 27 ATOM 27 C LIG 1 -4.807 -2.032 -0.890 0.00 0.00 -0.030 A ATOM 28 C LIG 1 -5.726 -1.252 -0.171 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.390 -1.778 0.939 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -6.142 -3.096 1.336 0.00 0.00 +0.059 A ATOM 31 C LIG 1 -5.210 -3.874 0.644 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -4.548 -3.345 -0.466 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.824 -3.687 2.509 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -6.261 -4.397 3.322 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -8.141 -3.393 2.553 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -8.484 -2.961 1.749 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 8