REMARK Name = BDB059648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.391 0.462 -0.171 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -1.303 -0.476 0.185 0.00 0.00 +0.045 A ATOM 3 C LIG 1 -2.763 -0.106 0.054 0.00 0.00 +0.279 A ATOM 4 O LIG 1 -3.695 -0.847 0.337 0.00 0.00 -0.265 OA ATOM 5 N LIG 1 -3.002 1.193 -0.431 0.00 0.00 -0.179 N ATOM 6 C LIG 1 -2.018 2.100 -0.776 0.00 0.00 +0.156 A ATOM 7 C LIG 1 -2.661 3.236 -1.198 0.00 0.00 +0.114 A ATOM 8 C LIG 1 -4.030 2.938 -1.079 0.00 0.00 +0.156 A ATOM 9 N LIG 1 -4.253 1.704 -0.616 0.00 0.00 -0.169 NA ATOM 10 N LIG 1 -0.730 1.720 -0.640 0.00 0.00 -0.338 N ATOM 11 H LIG 1 0.055 2.332 -0.873 0.00 0.00 +0.167 HD ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 5.299 -0.524 0.168 0.00 0.00 +0.044 C ATOM 13 C LIG 1 3.828 -0.243 0.071 0.00 0.00 -0.050 A ATOM 14 C LIG 1 3.122 -0.560 -1.096 0.00 0.00 +0.004 A ATOM 15 C LIG 1 1.747 -0.328 -1.177 0.00 0.00 +0.010 A ATOM 16 C LIG 1 1.059 0.211 -0.085 0.00 0.00 -0.001 A ATOM 17 C LIG 1 1.759 0.520 1.087 0.00 0.00 +0.010 A ATOM 18 C LIG 1 3.134 0.287 1.165 0.00 0.00 +0.004 A ENDBRANCH 1 16 BRANCH 2 19 ATOM 19 C LIG 1 -0.981 -1.871 0.706 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -1.485 -2.974 -0.229 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -1.472 -2.087 2.140 0.00 0.00 +0.012 C ENDBRANCH 2 19 BRANCH 7 22 ATOM 22 C LIG 1 -2.068 4.445 -1.653 0.00 0.00 +0.104 C ATOM 23 N LIG 1 -1.575 5.427 -2.024 0.00 0.00 -0.191 NA ENDBRANCH 7 22 TORSDOF 3