REMARK Name = BDB056325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.614 -0.119 0.913 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.157 0.018 -0.537 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.821 0.735 -1.302 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.001 -0.642 -0.951 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.708 -1.647 -0.193 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.885 -1.643 1.208 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -1.611 -2.704 1.814 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.151 -3.752 1.079 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.982 -3.765 -0.290 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -0.459 -0.586 2.202 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.275 -2.730 -0.908 0.00 0.00 +0.024 A ATOM 12 C LIG 1 0.514 0.487 1.766 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.701 0.448 2.135 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.865 0.625 1.060 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.146 1.183 0.259 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.388 -0.270 3.086 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.011 1.281 2.101 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.774 1.142 0.784 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.562 -0.283 3.217 0.00 0.00 +0.101 C ATOM 20 N LIG 1 5.846 0.986 3.293 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 5.203 0.927 4.090 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.418 -0.371 -2.342 0.00 0.00 +0.148 C BRANCH 22 23 ATOM 23 C LIG 1 -1.863 0.067 -2.476 0.00 0.00 -0.029 A ATOM 24 C LIG 1 -2.367 1.120 -1.695 0.00 0.00 +0.013 A ATOM 25 C LIG 1 -3.699 1.548 -1.819 0.00 0.00 -0.018 A ATOM 26 C LIG 1 -4.545 0.916 -2.757 0.00 0.00 -0.018 A ATOM 27 C LIG 1 -5.876 1.344 -2.881 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -6.368 2.384 -2.089 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.535 3.007 -1.165 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.034 -0.124 -3.548 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -4.208 2.593 -1.031 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -2.707 -0.540 -3.414 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 5