REMARK Name = BDB056949 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.445 -2.448 0.007 0.00 0.00 +0.219 A ATOM 2 N LIG 1 0.400 -1.345 -0.046 0.00 0.00 -0.163 N ATOM 3 C LIG 1 1.791 -1.311 -0.262 0.00 0.00 +0.281 C ATOM 4 O LIG 1 2.357 -2.391 -0.452 0.00 0.00 -0.265 OA ATOM 5 N LIG 1 -0.329 -0.210 0.136 0.00 0.00 -0.141 NA ATOM 6 C LIG 1 -1.568 -0.683 0.324 0.00 0.00 +0.185 A ATOM 7 N LIG 1 -1.665 -2.052 0.266 0.00 0.00 -0.193 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.630 -0.081 -0.285 0.00 0.00 +0.041 A ATOM 9 C LIG 1 2.371 1.023 0.535 0.00 0.00 +0.013 A ATOM 10 C LIG 1 3.204 2.145 0.484 0.00 0.00 +0.001 A ATOM 11 C LIG 1 4.302 2.164 -0.375 0.00 0.00 +0.000 A ATOM 12 C LIG 1 4.577 1.060 -1.181 0.00 0.00 +0.001 A ATOM 13 C LIG 1 3.747 -0.061 -1.132 0.00 0.00 +0.013 A ENDBRANCH 3 8 BRANCH 6 14 ATOM 14 C LIG 1 -2.726 0.160 0.577 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -2.621 1.547 0.621 0.00 0.00 +0.122 A ATOM 16 N LIG 1 -3.661 2.388 0.857 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 -4.868 1.816 1.056 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -5.082 0.448 1.031 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -3.994 -0.389 0.789 0.00 0.00 +0.014 A ENDBRANCH 6 14 BRANCH 1 20 ATOM 20 N LIG 1 -0.046 -3.719 -0.183 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -0.657 -4.471 0.114 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 0.951 -3.943 -0.195 0.00 0.00 +0.145 HD ENDBRANCH 1 20 TORSDOF 3