REMARK Name = BDB025319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.821 -0.118 -0.613 0.00 0.00 +0.123 A ATOM 2 N LIG 1 1.556 -0.508 -0.346 0.00 0.00 -0.214 NA ATOM 3 C LIG 1 0.622 0.457 -0.452 0.00 0.00 +0.145 A ATOM 4 C LIG 1 0.829 1.785 -0.789 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.437 2.438 -0.742 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -1.395 1.482 -0.377 0.00 0.00 +0.052 A ATOM 7 C LIG 1 -2.752 1.821 -0.234 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -3.134 3.147 -0.464 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.199 4.109 -0.828 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -0.851 3.768 -0.970 0.00 0.00 +0.010 A ATOM 11 C LIG 1 2.144 2.173 -1.076 0.00 0.00 +0.015 A ATOM 12 N LIG 1 -0.724 0.279 -0.229 0.00 0.00 -0.313 N ATOM 13 C LIG 1 3.137 1.194 -0.987 0.00 0.00 +0.044 A ENDROOT BRANCH 12 14 ATOM 14 C LIG 1 -1.291 -1.003 0.188 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -2.467 -1.443 -0.670 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -2.575 -1.214 -1.872 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -3.423 -2.211 -0.038 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -4.186 -2.526 -0.623 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -3.385 -2.735 1.229 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -4.241 -3.526 1.614 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -2.200 -2.349 2.080 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -1.655 -0.990 1.675 0.00 0.00 +0.044 C ENDBRANCH 12 14 BRANCH 1 24 ATOM 23 C LIG 1 4.838 -0.732 0.509 0.00 0.00 +0.130 C ATOM 24 N LIG 1 3.873 -1.066 -0.540 0.00 0.00 -0.321 N ATOM 25 C LIG 1 3.388 -2.445 -0.483 0.00 0.00 +0.130 C ENDBRANCH 1 24 TORSDOF 2