REMARK Name = BDB018403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.577 -0.838 0.099 0.00 0.00 -0.001 A ATOM 2 C LIG 1 -1.200 -1.314 -0.173 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.966 -2.642 -0.094 0.00 0.00 +0.098 A ATOM 4 N LIG 1 -1.950 -3.567 0.201 0.00 0.00 -0.318 N ATOM 5 C LIG 1 -1.591 -4.976 0.240 0.00 0.00 +0.152 C ATOM 6 C LIG 1 -3.269 -3.196 0.412 0.00 0.00 +0.252 A ATOM 7 O LIG 1 -4.195 -3.970 0.639 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -3.542 -1.742 0.358 0.00 0.00 +0.079 A ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -2.706 4.003 1.136 0.00 0.00 +0.172 C ATOM 10 N LIG 1 -2.973 2.693 0.594 0.00 0.00 -0.274 N ATOM 11 N LIG 1 -3.941 2.542 -0.330 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -3.908 1.236 -0.611 0.00 0.00 +0.142 A ATOM 13 C LIG 1 -2.914 0.555 0.125 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.338 1.527 0.913 0.00 0.00 +0.116 A ENDBRANCH 1 13 BRANCH 2 15 ATOM 15 C LIG 1 -0.129 -0.428 -0.540 0.00 0.00 +0.022 A ATOM 16 C LIG 1 1.145 -0.433 -0.014 0.00 0.00 +0.123 A ATOM 17 N LIG 1 1.868 0.546 -0.662 0.00 0.00 -0.238 N ATOM 18 N LIG 1 1.071 1.233 -1.527 0.00 0.00 -0.174 NA ATOM 19 C LIG 1 -0.110 0.617 -1.476 0.00 0.00 +0.143 A BRANCH 17 20 ATOM 20 C LIG 1 3.243 0.919 -0.519 0.00 0.00 +0.083 A ATOM 21 C LIG 1 4.223 0.121 0.099 0.00 0.00 +0.077 A ATOM 22 C LIG 1 5.541 0.609 0.213 0.00 0.00 +0.021 A ATOM 23 C LIG 1 5.894 1.860 -0.290 0.00 0.00 +0.001 A ATOM 24 C LIG 1 4.938 2.638 -0.927 0.00 0.00 +0.002 A ATOM 25 C LIG 1 3.627 2.172 -1.046 0.00 0.00 +0.029 A BRANCH 21 26 ATOM 26 C LIG 1 4.010 -1.217 0.567 0.00 0.00 +0.101 C ATOM 27 N LIG 1 3.855 -2.303 0.949 0.00 0.00 -0.191 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 2 15 TORSDOF 4