REMARK Name = BDB015419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.190 -1.285 0.819 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -3.287 -1.046 0.018 0.00 0.00 +0.253 C ATOM 3 N LIG 1 -2.262 -1.952 -0.255 0.00 0.00 -0.238 N ATOM 4 C LIG 1 -0.897 -1.778 -0.517 0.00 0.00 +0.188 C ATOM 5 N LIG 1 -0.237 -2.883 -0.714 0.00 0.00 -0.254 NA ATOM 6 C LIG 1 -1.229 -3.972 -0.584 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -2.434 -3.336 0.070 0.00 0.00 +0.140 C ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -3.292 0.263 -0.689 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -2.855 0.381 -2.013 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -2.887 1.626 -2.638 0.00 0.00 +0.042 A ATOM 11 CL LIG 1 -2.320 1.780 -4.255 0.00 0.00 -0.084 Cl ATOM 12 C LIG 1 -3.374 2.747 -1.967 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.842 2.625 -0.658 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -3.807 1.384 -0.022 0.00 0.00 +0.013 A ENDBRANCH 2 8 BRANCH 4 15 ATOM 15 N LIG 1 -0.309 -0.534 -0.530 0.00 0.00 -0.301 N ATOM 16 C LIG 1 -0.135 0.114 0.794 0.00 0.00 +0.123 C ATOM 17 C LIG 1 0.890 1.264 0.751 0.00 0.00 +0.103 C ATOM 18 N LIG 1 2.248 0.874 0.298 0.00 0.00 -0.296 NA ATOM 19 C LIG 1 2.171 -0.286 -0.631 0.00 0.00 +0.103 C ATOM 20 C LIG 1 0.855 -0.337 -1.427 0.00 0.00 +0.123 C BRANCH 18 21 ATOM 21 C LIG 1 3.091 0.518 1.449 0.00 0.00 +0.057 C ATOM 22 C LIG 1 3.542 1.808 2.189 0.00 0.00 +0.019 C ATOM 23 C LIG 1 4.944 1.167 2.277 0.00 0.00 +0.003 C ATOM 24 C LIG 1 4.573 0.381 1.002 0.00 0.00 +0.019 C ENDBRANCH 18 21 ENDBRANCH 4 15 TORSDOF 3