REMARK Name = BDB006999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.182 -2.409 -0.061 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.172 -2.612 0.181 0.00 0.00 -0.269 N ATOM 3 C LIG 1 2.219 -1.750 0.559 0.00 0.00 +0.043 A ATOM 4 C LIG 1 3.415 -2.461 0.618 0.00 0.00 -0.001 A ATOM 5 C LIG 1 4.581 -1.802 0.945 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.616 -0.481 1.211 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 3.444 0.205 1.159 0.00 0.00 +0.047 A ATOM 8 C LIG 1 3.230 -3.921 0.304 0.00 0.00 +0.009 C ATOM 9 C LIG 1 4.102 -4.371 -0.872 0.00 0.00 +0.017 C ATOM 10 C LIG 1 3.508 -4.787 1.539 0.00 0.00 +0.017 C ATOM 11 C LIG 1 2.222 -0.398 0.843 0.00 0.00 +0.047 A ATOM 12 C LIG 1 1.731 -3.952 -0.069 0.00 0.00 +0.124 C ATOM 13 O LIG 1 -0.872 -3.351 -0.470 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.772 -1.009 0.178 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -5.170 -2.362 2.026 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -4.498 -1.588 0.893 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -4.961 -0.191 0.935 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -4.680 0.219 1.825 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -4.291 0.554 -0.145 0.00 0.00 +0.102 C ATOM 20 C LIG 1 -2.730 0.492 -0.099 0.00 0.00 +0.092 C ATOM 21 N LIG 1 -2.241 -0.926 -0.047 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -2.957 -1.673 1.017 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -2.178 1.286 -1.319 0.00 0.00 +0.167 C BRANCH 23 24 ATOM 24 N LIG 1 -2.594 2.691 -1.334 0.00 0.00 -0.228 N ATOM 25 C LIG 1 -3.459 3.154 -2.320 0.00 0.00 +0.267 A ATOM 26 O LIG 1 -3.933 2.472 -3.224 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -3.826 4.585 -2.241 0.00 0.00 +0.073 A ATOM 28 C LIG 1 -3.349 5.362 -1.269 0.00 0.00 +0.027 A ATOM 29 C LIG 1 -2.452 4.721 -0.303 0.00 0.00 +0.133 A ATOM 30 N LIG 1 -2.088 3.481 -0.319 0.00 0.00 -0.177 NA ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 31 ATOM 31 C LIG 1 3.505 1.689 1.451 0.00 0.00 +0.093 C BRANCH 31 32 ATOM 32 C LIG 1 3.208 2.550 0.246 0.00 0.00 -0.006 A ATOM 33 C LIG 1 1.918 3.051 0.032 0.00 0.00 +0.130 A ATOM 34 F LIG 1 0.947 2.778 0.916 0.00 0.00 -0.205 F ATOM 35 C LIG 1 1.612 3.813 -1.087 0.00 0.00 +0.077 A ATOM 36 C LIG 1 2.614 4.082 -2.007 0.00 0.00 +0.126 A ATOM 37 F LIG 1 2.333 4.819 -3.090 0.00 0.00 -0.205 F ATOM 38 C LIG 1 3.906 3.596 -1.827 0.00 0.00 +0.039 A ATOM 39 C LIG 1 4.204 2.824 -0.703 0.00 0.00 +0.009 A ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 6