REMARK Name = BDB018147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.110 0.613 -1.211 0.00 0.00 +0.047 C ATOM 2 C LIG 1 0.208 -0.872 -1.030 0.00 0.00 +0.128 C ATOM 3 C LIG 1 -0.779 -1.750 -1.800 0.00 0.00 +0.198 C ATOM 4 C LIG 1 -1.901 -2.002 -0.780 0.00 0.00 +0.253 C ATOM 5 O LIG 1 -1.339 -1.801 0.532 0.00 0.00 -0.338 OA ATOM 6 C LIG 1 0.032 -1.409 0.395 0.00 0.00 +0.240 C ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.068 -1.147 -0.954 0.00 0.00 -0.303 N ATOM 8 C LIG 1 -3.866 -1.176 -2.073 0.00 0.00 +0.148 A ATOM 9 C LIG 1 -4.879 -0.242 -1.903 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -5.791 -0.102 -2.958 0.00 0.00 +0.129 A ATOM 11 N LIG 1 -5.636 -0.865 -4.057 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 -4.618 -1.747 -4.084 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -4.686 0.349 -0.625 0.00 0.00 +0.033 A ATOM 14 N LIG 1 -3.679 -1.968 -3.144 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -3.566 -0.228 -0.062 0.00 0.00 +0.091 A BRANCH 10 16 ATOM 16 N LIG 1 -6.833 0.811 -2.950 0.00 0.00 -0.343 N ATOM 17 H LIG 1 -7.198 0.971 -3.882 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -6.689 1.627 -2.373 0.00 0.00 +0.144 HD ENDBRANCH 10 16 ENDBRANCH 4 7 BRANCH 6 19 ATOM 19 C LIG 1 0.510 -0.420 1.475 0.00 0.00 +0.249 C ATOM 20 N LIG 1 1.851 -0.089 1.327 0.00 0.00 -0.283 N ATOM 21 H LIG 1 2.309 -0.445 0.487 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 -0.243 -0.018 2.356 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 2.627 0.756 2.146 0.00 0.00 +0.034 A ATOM 24 C LIG 1 3.946 1.004 1.739 0.00 0.00 +0.028 A ATOM 25 C LIG 1 4.794 1.833 2.492 0.00 0.00 -0.032 A ATOM 26 C LIG 1 4.308 2.406 3.672 0.00 0.00 +0.005 A ATOM 27 C LIG 1 3.000 2.162 4.085 0.00 0.00 +0.002 A ATOM 28 C LIG 1 2.163 1.340 3.324 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 C LIG 1 6.217 2.066 2.058 0.00 0.00 +0.113 C BRANCH 29 30 ATOM 30 N LIG 1 7.118 1.091 2.660 0.00 0.00 -0.326 NA ATOM 31 H LIG 1 7.008 1.127 3.674 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 6.816 0.157 2.391 0.00 0.00 +0.119 HD ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 20 23 ENDBRANCH 6 19 BRANCH 3 33 ATOM 33 O LIG 1 -0.094 -2.981 -2.132 0.00 0.00 -0.384 OA ATOM 34 H LIG 1 -0.717 -3.510 -2.669 0.00 0.00 +0.210 HD ENDBRANCH 3 33 BRANCH 2 35 ATOM 35 O LIG 1 1.555 -1.091 -1.483 0.00 0.00 -0.383 OA ATOM 36 H LIG 1 1.540 -1.978 -1.908 0.00 0.00 +0.210 HD ENDBRANCH 2 35 TORSDOF 8