REMARK Name = BDB051665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.388 3.393 1.603 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -1.915 2.346 1.183 0.00 0.00 +0.244 C ATOM 3 C LIG 1 -2.293 1.782 -0.144 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -1.588 0.685 -0.676 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -2.047 0.081 -1.858 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -1.365 -1.164 -2.359 0.00 0.00 +0.054 C ATOM 7 C LIG 1 -0.786 -1.945 -1.179 0.00 0.00 +0.113 C ATOM 8 N LIG 1 0.153 -1.119 -0.419 0.00 0.00 -0.289 N ATOM 9 C LIG 1 1.358 -1.703 -0.026 0.00 0.00 +0.247 C ATOM 10 O LIG 1 1.605 -2.899 -0.162 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -3.136 0.631 -2.544 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -3.797 1.751 -2.036 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -0.328 0.202 0.033 0.00 0.00 +0.125 C ATOM 14 C LIG 1 -0.605 0.278 1.548 0.00 0.00 +0.131 C ATOM 15 C LIG 1 -3.386 2.319 -0.830 0.00 0.00 +0.013 A ATOM 16 N LIG 1 -1.018 1.617 1.929 0.00 0.00 -0.309 N ATOM 17 H LIG 1 -0.879 1.949 2.876 0.00 0.00 +0.149 HD ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 2.412 -0.864 0.583 0.00 0.00 +0.037 A ATOM 19 C LIG 1 2.917 -1.222 1.838 0.00 0.00 +0.013 A ATOM 20 C LIG 1 3.925 -0.456 2.423 0.00 0.00 +0.001 A ATOM 21 C LIG 1 4.440 0.651 1.747 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.961 0.987 0.479 0.00 0.00 +0.001 A ATOM 23 C LIG 1 2.953 0.224 -0.111 0.00 0.00 +0.013 A ENDBRANCH 9 18 TORSDOF 1