REMARK Name = BDB012783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.865 -0.493 0.310 0.00 0.00 +0.128 C ATOM 2 C LIG 1 1.946 0.705 0.099 0.00 0.00 +0.135 C ATOM 3 N LIG 1 0.615 0.122 0.024 0.00 0.00 -0.294 N ATOM 4 C LIG 1 -0.517 0.924 0.111 0.00 0.00 +0.267 C ATOM 5 O LIG 1 -0.398 2.147 0.224 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 0.684 -1.312 -0.216 0.00 0.00 +0.110 C ATOM 7 C LIG 1 2.159 -1.595 -0.483 0.00 0.00 +0.047 C ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 7.821 0.125 0.181 0.00 0.00 +0.069 C ATOM 9 C LIG 1 6.378 0.007 -0.098 0.00 0.00 +0.080 A ATOM 10 N LIG 1 5.888 0.201 -1.362 0.00 0.00 -0.135 NA ATOM 11 N LIG 1 4.573 0.037 -1.327 0.00 0.00 -0.065 NA ATOM 12 N LIG 1 4.234 -0.256 -0.060 0.00 0.00 -0.247 N ATOM 13 C LIG 1 5.332 -0.288 0.748 0.00 0.00 +0.133 A ENDBRANCH 1 12 BRANCH 4 14 ATOM 14 C LIG 1 -1.863 0.309 0.076 0.00 0.00 +0.147 A ATOM 15 N LIG 1 -2.118 -1.014 0.135 0.00 0.00 -0.169 NA ATOM 16 N LIG 1 -3.455 -1.106 0.087 0.00 0.00 -0.281 N ATOM 17 H LIG 1 -3.872 -2.031 0.113 0.00 0.00 +0.189 HD ATOM 18 C LIG 1 -4.094 0.099 0.013 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -3.087 1.037 0.009 0.00 0.00 +0.057 A BRANCH 18 20 ATOM 20 C LIG 1 -5.583 0.247 -0.044 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.161 -0.413 -1.296 0.00 0.00 +0.014 C ATOM 22 C LIG 1 -6.247 -0.303 1.218 0.00 0.00 +0.014 C ENDBRANCH 18 20 ENDBRANCH 4 14 TORSDOF 3