REMARK Name = BDB003896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.163 -0.507 2.882 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -3.711 -0.658 1.748 0.00 0.00 +0.219 C ATOM 3 N LIG 1 -2.368 -0.837 1.570 0.00 0.00 -0.256 N ATOM 4 H LIG 1 -2.021 -0.794 2.526 0.00 0.00 +0.157 HD ATOM 5 C LIG 1 -1.708 0.166 0.917 0.00 0.00 +0.227 C ATOM 6 O LIG 1 -1.135 1.035 1.574 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -1.593 0.060 -0.616 0.00 0.00 +0.063 C ATOM 8 C LIG 1 -0.402 -0.878 -0.914 0.00 0.00 +0.124 C ATOM 9 N LIG 1 0.890 -0.319 -0.522 0.00 0.00 -0.297 N ATOM 10 C LIG 1 1.894 -1.203 -0.125 0.00 0.00 +0.247 C ATOM 11 O LIG 1 1.779 -2.425 -0.188 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 1.111 1.110 -0.750 0.00 0.00 +0.108 C ATOM 13 C LIG 1 0.083 1.704 -1.702 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -1.351 1.475 -1.221 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -2.859 -0.566 -1.249 0.00 0.00 +0.018 C ATOM 16 C LIG 1 -4.165 -0.002 -0.696 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -4.620 -0.758 0.543 0.00 0.00 +0.096 C ENDROOT BRANCH 10 18 ATOM 18 C LIG 1 3.164 -0.655 0.402 0.00 0.00 +0.037 A ATOM 19 C LIG 1 3.169 0.209 1.503 0.00 0.00 +0.013 A ATOM 20 C LIG 1 4.381 0.695 1.994 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.582 0.306 1.398 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.577 -0.576 0.316 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.368 -1.065 -0.179 0.00 0.00 +0.013 A ENDBRANCH 10 18 TORSDOF 1