REMARK Name = BDB006832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.472 0.952 0.267 0.00 0.00 +0.122 A ATOM 2 C LIG 1 3.105 0.807 0.541 0.00 0.00 +0.069 A ATOM 3 C LIG 1 2.405 -0.231 -0.050 0.00 0.00 +0.043 A ATOM 4 N LIG 1 1.041 -0.572 0.064 0.00 0.00 -0.270 N ATOM 5 C LIG 1 0.779 -1.722 -0.818 0.00 0.00 +0.118 C ATOM 6 C LIG 1 2.120 -2.179 -1.403 0.00 0.00 +0.056 C ATOM 7 C LIG 1 0.101 0.084 0.856 0.00 0.00 +0.234 C ATOM 8 O LIG 1 0.375 1.030 1.596 0.00 0.00 -0.274 OA ATOM 9 C LIG 1 3.051 -1.123 -0.905 0.00 0.00 -0.024 A ATOM 10 C LIG 1 4.403 -0.999 -1.186 0.00 0.00 +0.009 A ATOM 11 C LIG 1 5.114 0.050 -0.596 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 6.460 2.198 0.677 0.00 0.00 +0.277 C ATOM 13 O LIG 1 5.068 2.012 0.898 0.00 0.00 -0.495 OA ENDBRANCH 1 13 BRANCH 7 14 ATOM 14 C LIG 1 -1.335 -0.485 0.741 0.00 0.00 +0.181 C BRANCH 14 15 ATOM 15 N LIG 1 -2.343 0.306 1.479 0.00 0.00 -0.291 NA ATOM 16 C LIG 1 -3.628 -0.416 1.587 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -4.445 -0.488 0.267 0.00 0.00 +0.065 C ATOM 18 C LIG 1 -5.794 -1.163 0.513 0.00 0.00 +0.025 C ATOM 19 N LIG 1 -4.681 0.843 -0.315 0.00 0.00 -0.311 NA ATOM 20 H LIG 1 -5.126 0.756 -1.226 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -3.423 1.590 -0.442 0.00 0.00 +0.096 C ATOM 22 C LIG 1 -2.597 1.628 0.865 0.00 0.00 +0.100 C ENDBRANCH 14 15 ENDBRANCH 7 14 TORSDOF 3