REMARK Name = BDB061938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.955 -0.229 -1.163 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -4.524 -0.149 -0.717 0.00 0.00 -0.049 A ATOM 3 C LIG 1 -3.551 -0.957 -1.310 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -2.217 -0.847 -0.907 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -1.817 0.065 0.076 0.00 0.00 +0.081 A ATOM 6 N LIG 1 -0.473 0.180 0.484 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 0.408 -0.587 -0.074 0.00 0.00 +0.121 A ATOM 8 N LIG 1 0.092 -1.515 -1.033 0.00 0.00 -0.310 N ATOM 9 H LIG 1 0.816 -2.056 -1.484 0.00 0.00 +0.170 HD ATOM 10 C LIG 1 -2.791 0.890 0.664 0.00 0.00 -0.024 A ATOM 11 C LIG 1 -2.407 1.894 1.715 0.00 0.00 +0.046 C ATOM 12 C LIG 1 -1.177 -1.694 -1.517 0.00 0.00 +0.259 A ATOM 13 O LIG 1 -1.426 -2.505 -2.401 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 -4.134 0.779 0.258 0.00 0.00 +0.008 A ENDROOT BRANCH 7 15 ATOM 15 C LIG 1 1.863 -0.516 0.328 0.00 0.00 +0.151 C BRANCH 15 16 ATOM 16 S LIG 1 2.816 0.227 -1.029 0.00 0.00 -0.078 S BRANCH 16 17 ATOM 17 C LIG 1 4.417 0.276 -0.268 0.00 0.00 +0.189 A ATOM 18 N LIG 1 5.320 1.099 -0.827 0.00 0.00 -0.230 NA ATOM 19 C LIG 1 6.540 1.125 -0.260 0.00 0.00 +0.115 A ATOM 20 C LIG 1 6.886 0.363 0.829 0.00 0.00 +0.039 A ATOM 21 C LIG 1 5.894 -0.449 1.319 0.00 0.00 +0.115 A ATOM 22 N LIG 1 4.656 -0.515 0.792 0.00 0.00 -0.230 NA ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 7 15 TORSDOF 3