REMARK Name = BDB014384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.917 -0.574 0.663 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -3.777 0.206 0.387 0.00 0.00 +0.103 A ATOM 3 C LIG 1 -3.901 1.281 -0.494 0.00 0.00 +0.071 A ATOM 4 N LIG 1 -2.643 1.824 -0.549 0.00 0.00 -0.326 N ATOM 5 H LIG 1 -2.366 2.650 -1.054 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -1.810 1.079 0.245 0.00 0.00 +0.197 A ATOM 7 C LIG 1 -5.101 1.635 -1.115 0.00 0.00 +0.066 A ATOM 8 C LIG 1 -6.211 0.843 -0.817 0.00 0.00 +0.126 A ATOM 9 F LIG 1 -7.387 1.141 -1.385 0.00 0.00 -0.205 F ATOM 10 N LIG 1 -2.474 0.104 0.819 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -6.138 -0.241 0.050 0.00 0.00 +0.053 A ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -0.501 1.409 0.392 0.00 0.00 -0.298 N ATOM 13 C LIG 1 0.277 1.740 -0.827 0.00 0.00 +0.127 C ATOM 14 C LIG 1 1.784 1.423 -0.686 0.00 0.00 +0.125 C ATOM 15 N LIG 1 1.980 0.011 -0.310 0.00 0.00 -0.312 N ATOM 16 C LIG 1 1.082 -0.500 0.753 0.00 0.00 +0.125 C ATOM 17 C LIG 1 0.250 0.627 1.401 0.00 0.00 +0.127 C BRANCH 15 18 ATOM 18 C LIG 1 3.294 -0.446 -0.330 0.00 0.00 +0.121 A ATOM 19 N LIG 1 4.287 0.427 -0.610 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 5.564 -0.022 -0.646 0.00 0.00 +0.125 A ATOM 21 C LIG 1 5.933 -1.335 -0.418 0.00 0.00 +0.073 A ATOM 22 C LIG 1 4.909 -2.241 -0.156 0.00 0.00 +0.017 A ATOM 23 C LIG 1 3.587 -1.793 -0.114 0.00 0.00 +0.044 A BRANCH 21 24 ATOM 24 C LIG 1 7.370 -1.740 -0.503 0.00 0.00 +0.419 C ATOM 25 F LIG 1 7.645 -2.892 0.171 0.00 0.00 -0.166 F ATOM 26 F LIG 1 8.217 -0.803 0.005 0.00 0.00 -0.166 F ATOM 27 F LIG 1 7.775 -1.952 -1.785 0.00 0.00 -0.166 F ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 1 31 ATOM 28 N LIG 1 -5.547 -2.833 1.245 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -5.385 -3.650 1.821 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -5.863 -2.986 0.298 0.00 0.00 +0.145 HD ATOM 31 C LIG 1 -4.838 -1.714 1.598 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -4.195 -1.686 2.636 0.00 0.00 -0.270 OA ENDBRANCH 1 31 TORSDOF 4