REMARK Name = BDB000324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.500 0.597 0.001 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.226 0.137 0.387 0.00 0.00 +0.032 A ATOM 3 C LIG 1 0.618 0.860 1.250 0.00 0.00 +0.034 A ATOM 4 N LIG 1 1.887 0.397 1.613 0.00 0.00 -0.328 N ATOM 5 C LIG 1 2.773 1.324 2.328 0.00 0.00 +0.105 C ATOM 6 C LIG 1 2.008 2.077 3.401 0.00 0.00 +0.024 C ATOM 7 C LIG 1 0.915 2.899 2.740 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.105 2.064 1.778 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -1.158 2.543 1.390 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -1.949 1.819 0.504 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.402 -0.975 -0.521 0.00 0.00 +0.056 A ATOM 12 C LIG 1 -2.325 -0.189 -0.927 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -2.078 -0.210 -2.301 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -2.807 -0.916 -3.179 0.00 0.00 -0.199 NA ATOM 15 C LIG 1 -3.835 -1.605 -2.688 0.00 0.00 +0.214 A ATOM 16 N LIG 1 -4.157 -1.679 -1.398 0.00 0.00 -0.219 NA BRANCH 13 17 ATOM 17 N LIG 1 -0.990 0.470 -2.863 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -1.070 0.388 -3.873 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -0.955 1.436 -2.553 0.00 0.00 +0.144 HD ENDBRANCH 13 17 BRANCH 15 20 ATOM 20 N LIG 1 -4.595 -2.339 -3.575 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -4.043 -2.568 -4.388 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -5.038 -3.103 -3.083 0.00 0.00 +0.145 HD ENDBRANCH 15 20 BRANCH 11 24 ATOM 23 C LIG 1 -5.022 -0.249 1.254 0.00 0.00 +0.010 C ATOM 24 C LIG 1 -3.816 -1.116 0.924 0.00 0.00 +0.053 C ENDBRANCH 11 24 ENDBRANCH 1 12 BRANCH 4 25 ATOM 25 C LIG 1 2.574 -0.644 0.824 0.00 0.00 +0.124 C BRANCH 25 26 ATOM 26 C LIG 1 3.051 -0.128 -0.546 0.00 0.00 +0.123 C BRANCH 26 27 ATOM 27 N LIG 1 3.602 -1.177 -1.387 0.00 0.00 -0.314 N ATOM 28 H LIG 1 3.009 -1.575 -2.104 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 4.848 -1.706 -1.154 0.00 0.00 +0.210 C ATOM 30 O LIG 1 5.579 -1.339 -0.239 0.00 0.00 -0.276 OA ATOM 31 C LIG 1 5.246 -2.801 -2.106 0.00 0.00 +0.109 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 7