REMARK Name = BDB062116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.428 1.100 -0.226 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -4.255 0.158 -0.296 0.00 0.00 -0.045 A ATOM 3 C LIG 1 -2.946 0.571 0.056 0.00 0.00 -0.021 A ATOM 4 C LIG 1 -2.675 1.992 0.484 0.00 0.00 +0.046 C ATOM 5 C LIG 1 -1.872 -0.339 -0.058 0.00 0.00 +0.081 A ATOM 6 C LIG 1 -2.136 -1.649 -0.476 0.00 0.00 +0.065 A ATOM 7 C LIG 1 -1.000 -2.581 -0.581 0.00 0.00 +0.259 A ATOM 8 N LIG 1 0.221 -2.068 -0.235 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.010 -2.687 -0.357 0.00 0.00 +0.170 HD ATOM 10 C LIG 1 0.407 -0.764 0.144 0.00 0.00 +0.121 A ATOM 11 O LIG 1 -1.134 -3.740 -0.956 0.00 0.00 -0.267 OA ATOM 12 C LIG 1 -3.427 -2.071 -0.794 0.00 0.00 +0.015 A ATOM 13 N LIG 1 -0.562 0.086 0.246 0.00 0.00 -0.233 NA ATOM 14 C LIG 1 -4.481 -1.167 -0.704 0.00 0.00 +0.004 A ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 1.828 -0.362 0.469 0.00 0.00 +0.151 C BRANCH 15 16 ATOM 16 S LIG 1 2.788 -0.288 -1.072 0.00 0.00 -0.078 S BRANCH 16 17 ATOM 17 C LIG 1 4.336 0.285 -0.423 0.00 0.00 +0.189 A ATOM 18 N LIG 1 5.196 0.814 -1.309 0.00 0.00 -0.230 NA ATOM 19 C LIG 1 6.377 1.234 -0.821 0.00 0.00 +0.115 A ATOM 20 C LIG 1 6.726 1.141 0.505 0.00 0.00 +0.039 A ATOM 21 C LIG 1 5.779 0.578 1.325 0.00 0.00 +0.115 A ATOM 22 N LIG 1 4.581 0.141 0.891 0.00 0.00 -0.230 NA ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 10 15 TORSDOF 3