REMARK Name = BDB002419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.760 -0.186 0.872 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -4.302 -0.073 0.538 0.00 0.00 -0.050 A ATOM 3 C LIG 1 -3.727 -0.901 -0.428 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -2.354 -0.818 -0.719 0.00 0.00 +0.002 A ATOM 5 C LIG 1 -1.528 0.095 -0.037 0.00 0.00 +0.076 A ATOM 6 N LIG 1 -0.208 0.183 -0.307 0.00 0.00 -0.230 NA ATOM 7 C LIG 1 0.361 -0.610 -1.248 0.00 0.00 +0.140 A ATOM 8 C LIG 1 -0.404 -1.534 -1.964 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -2.109 0.910 0.940 0.00 0.00 -0.024 A ATOM 10 C LIG 1 -1.256 1.892 1.698 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -1.770 -1.635 -1.692 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -3.483 0.822 1.228 0.00 0.00 +0.008 A ENDROOT BRANCH 7 13 ATOM 13 N LIG 1 1.749 -0.486 -1.474 0.00 0.00 -0.312 N ATOM 14 C LIG 1 2.274 0.875 -1.198 0.00 0.00 +0.122 C ATOM 15 C LIG 1 2.905 0.978 0.207 0.00 0.00 +0.103 C ATOM 16 N LIG 1 4.070 0.077 0.390 0.00 0.00 -0.302 NA ATOM 17 C LIG 1 4.248 -0.242 1.804 0.00 0.00 +0.105 C ATOM 18 C LIG 1 3.941 -1.141 -0.440 0.00 0.00 +0.103 C ATOM 19 C LIG 1 2.487 -1.561 -0.756 0.00 0.00 +0.122 C ENDBRANCH 7 13 BRANCH 8 20 ATOM 20 C LIG 1 0.163 -2.364 -2.982 0.00 0.00 +0.103 C ATOM 21 N LIG 1 0.578 -3.077 -3.800 0.00 0.00 -0.191 NA ENDBRANCH 8 20 TORSDOF 2