REMARK Name = BDB029625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.433 0.372 1.137 0.00 0.00 -0.326 N ATOM 2 C LIG 1 1.385 -0.435 0.473 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.037 -0.300 1.219 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.408 1.109 1.335 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.655 1.885 2.013 0.00 0.00 +0.103 C ATOM 6 C LIG 1 2.024 1.789 1.298 0.00 0.00 +0.120 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.393 -0.139 -0.099 0.00 0.00 +0.125 A ATOM 8 N LIG 1 5.417 -0.677 -0.879 0.00 0.00 -0.249 NA ATOM 9 C LIG 1 4.142 -0.492 -0.449 0.00 0.00 +0.134 A ATOM 10 C LIG 1 3.758 0.205 0.704 0.00 0.00 +0.048 A ATOM 11 C LIG 1 4.815 0.719 1.470 0.00 0.00 +0.027 A ATOM 12 C LIG 1 6.143 0.555 1.072 0.00 0.00 +0.035 A BRANCH 7 16 ATOM 13 C LIG 1 9.180 -1.433 -2.299 0.00 0.00 +0.128 C ATOM 14 N LIG 1 7.914 -1.025 -1.757 0.00 0.00 -0.313 N ATOM 15 H LIG 1 7.045 -1.395 -2.136 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 7.805 -0.342 -0.564 0.00 0.00 +0.262 C ATOM 17 O LIG 1 8.760 0.066 0.087 0.00 0.00 -0.269 OA ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.668 1.215 2.089 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 C LIG 1 -2.858 0.656 1.335 0.00 0.00 -0.031 A ATOM 20 C LIG 1 -3.192 1.157 0.066 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -4.291 0.643 -0.620 0.00 0.00 +0.053 A ATOM 22 C LIG 1 -5.077 -0.374 -0.050 0.00 0.00 +0.040 A ATOM 23 C LIG 1 -6.206 -0.850 -0.833 0.00 0.00 +0.138 A ATOM 24 O LIG 1 -7.043 -1.855 -0.379 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 -8.094 -1.867 -1.378 0.00 0.00 +0.234 C ATOM 26 C LIG 1 -7.648 -1.051 -2.597 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -6.480 -0.363 -2.035 0.00 0.00 +0.062 A ATOM 28 C LIG 1 -5.676 0.695 -2.649 0.00 0.00 +0.256 A ATOM 29 O LIG 1 -5.938 1.143 -3.759 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 -4.752 -0.870 1.213 0.00 0.00 +0.014 A ATOM 31 N LIG 1 -4.615 1.144 -1.897 0.00 0.00 -0.322 N ATOM 32 H LIG 1 -4.052 1.873 -2.313 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -3.649 -0.356 1.902 0.00 0.00 +0.006 A ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 4