REMARK Name = BDB057203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.308 0.598 -0.259 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -2.740 -0.837 -0.504 0.00 0.00 +0.270 A ATOM 3 O LIG 1 -3.924 -1.130 -0.656 0.00 0.00 -0.266 OA ATOM 4 N LIG 1 -1.741 -1.779 -0.517 0.00 0.00 -0.327 N ATOM 5 H LIG 1 -2.043 -2.730 -0.691 0.00 0.00 +0.168 HD ATOM 6 C LIG 1 -0.416 -1.499 -0.304 0.00 0.00 +0.094 A ATOM 7 C LIG 1 -0.007 -0.241 -0.060 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.001 0.823 -0.040 0.00 0.00 +0.038 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 1.424 0.004 0.154 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.117 -0.483 1.248 0.00 0.00 +0.122 A ATOM 11 N LIG 1 3.432 -0.267 1.468 0.00 0.00 -0.243 NA ATOM 12 C LIG 1 4.061 0.478 0.545 0.00 0.00 +0.221 A ATOM 13 N LIG 1 3.501 1.011 -0.552 0.00 0.00 -0.243 NA ATOM 14 C LIG 1 2.185 0.758 -0.720 0.00 0.00 +0.122 A ENDBRANCH 7 9 BRANCH 1 15 ATOM 15 N LIG 1 -3.292 1.572 -0.259 0.00 0.00 -0.354 N ATOM 16 H LIG 1 -4.216 1.143 -0.157 0.00 0.00 +0.142 HD ATOM 17 H LIG 1 -3.128 2.313 0.415 0.00 0.00 +0.142 HD ENDBRANCH 1 15 TORSDOF 2