REMARK Name = BDB037007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.627 0.762 -0.003 0.00 0.00 -0.222 N ATOM 2 C LIG 1 2.470 0.097 0.299 0.00 0.00 +0.256 C ATOM 3 O LIG 1 2.135 -1.030 -0.022 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 1.629 1.024 1.061 0.00 0.00 +0.070 A ATOM 5 C LIG 1 2.304 2.233 1.112 0.00 0.00 +0.051 A ATOM 6 C LIG 1 1.780 3.343 1.739 0.00 0.00 +0.014 A ATOM 7 C LIG 1 0.531 3.193 2.339 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.155 1.957 2.290 0.00 0.00 +0.024 A ATOM 9 C LIG 1 0.370 0.838 1.623 0.00 0.00 +0.040 A ATOM 10 C LIG 1 3.572 2.065 0.409 0.00 0.00 +0.255 C ATOM 11 O LIG 1 4.392 2.950 0.249 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 6.321 -2.196 -3.762 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 5.838 -1.480 -2.890 0.00 0.00 +0.219 C ATOM 14 N LIG 1 4.884 -0.541 -3.194 0.00 0.00 -0.255 N ATOM 15 H LIG 1 4.569 -0.527 -4.155 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 4.188 0.269 -2.324 0.00 0.00 +0.240 C ATOM 17 O LIG 1 3.276 0.985 -2.735 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 4.678 0.256 -0.872 0.00 0.00 +0.171 C ATOM 19 C LIG 1 5.181 -1.136 -0.499 0.00 0.00 +0.041 C ATOM 20 C LIG 1 6.298 -1.536 -1.452 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 9 21 ATOM 21 N LIG 1 -0.240 -0.413 1.615 0.00 0.00 -0.343 N ATOM 22 H LIG 1 0.187 -1.044 0.928 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.690 -0.567 1.702 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 -2.375 -0.129 0.405 0.00 0.00 +0.037 C BRANCH 24 25 ATOM 25 C LIG 1 -3.913 -0.215 0.473 0.00 0.00 +0.055 C ATOM 26 N LIG 1 -4.476 0.433 -0.724 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 -3.821 0.403 -1.505 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 -5.770 -0.088 -1.164 0.00 0.00 +0.081 C ATOM 29 C LIG 1 -6.630 -0.569 -0.005 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -5.948 -1.705 0.753 0.00 0.00 +0.003 C ATOM 31 C LIG 1 -4.423 -1.653 0.641 0.00 0.00 +0.019 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 9 21 TORSDOF 5