REMARK Name = BDB059660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.540 -1.011 -0.446 0.00 0.00 +0.068 A ATOM 2 C LIG 1 2.023 -1.253 -0.633 0.00 0.00 +0.283 A ATOM 3 O LIG 1 2.518 -2.316 -0.990 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 2.835 -0.137 -0.360 0.00 0.00 -0.178 N ATOM 5 C LIG 1 2.371 1.099 0.049 0.00 0.00 +0.156 A ATOM 6 C LIG 1 3.474 1.901 0.209 0.00 0.00 +0.114 A ATOM 7 C LIG 1 4.565 1.078 -0.122 0.00 0.00 +0.156 A ATOM 8 N LIG 1 1.039 1.262 0.201 0.00 0.00 -0.338 N ATOM 9 H LIG 1 0.621 2.136 0.527 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 4.195 -0.159 -0.467 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 0.149 0.224 -0.038 0.00 0.00 +0.061 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 -1.269 0.568 0.198 0.00 0.00 -0.001 A ATOM 13 C LIG 1 -1.952 1.387 -0.713 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -3.286 1.732 -0.486 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.942 1.267 0.653 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.268 0.459 1.567 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -1.934 0.112 1.343 0.00 0.00 +0.010 A ENDBRANCH 11 12 BRANCH 1 19 ATOM 18 C LIG 1 -1.205 -2.114 -1.774 0.00 0.00 +0.013 C ATOM 19 C LIG 1 -0.367 -2.127 -0.725 0.00 0.00 -0.043 C ATOM 20 C LIG 1 -0.303 -3.289 0.228 0.00 0.00 +0.044 C ENDBRANCH 1 19 BRANCH 6 21 ATOM 21 C LIG 1 3.501 3.261 0.618 0.00 0.00 +0.104 C ATOM 22 N LIG 1 3.510 4.372 0.953 0.00 0.00 -0.191 NA ENDBRANCH 6 21 TORSDOF 3