REMARK Name = BDB046778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.788 0.734 1.013 0.00 0.00 +0.304 A ATOM 2 N LIG 1 1.756 -0.113 -0.064 0.00 0.00 -0.276 N ATOM 3 H LIG 1 0.884 -0.400 -0.484 0.00 0.00 +0.173 HD ATOM 4 C LIG 1 2.884 -0.648 -0.626 0.00 0.00 +0.262 A ATOM 5 O LIG 1 2.840 -1.421 -1.575 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 4.158 -0.241 -0.015 0.00 0.00 +0.068 A ATOM 7 C LIG 1 4.093 0.627 1.071 0.00 0.00 +0.100 A ATOM 8 C LIG 1 5.308 0.995 1.630 0.00 0.00 +0.139 A ATOM 9 N LIG 1 6.518 0.566 1.187 0.00 0.00 -0.261 NA ATOM 10 C LIG 1 6.523 -0.275 0.129 0.00 0.00 +0.111 A ATOM 11 C LIG 1 5.376 -0.708 -0.506 0.00 0.00 +0.035 A ATOM 12 N LIG 1 2.881 1.113 1.588 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 0.581 1.209 1.521 0.00 0.00 -0.423 OA BRANCH 13 17 ATOM 14 C LIG 1 -2.963 0.292 -0.395 0.00 0.00 +0.044 A ATOM 15 N LIG 1 -2.236 1.357 -0.823 0.00 0.00 -0.256 NA ATOM 16 C LIG 1 -1.092 1.645 -0.164 0.00 0.00 +0.157 A ATOM 17 C LIG 1 -0.623 0.883 0.890 0.00 0.00 +0.150 A ATOM 18 C LIG 1 -1.367 -0.196 1.340 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -2.557 -0.499 0.684 0.00 0.00 +0.027 A BRANCH 14 21 ATOM 20 C LIG 1 -5.476 0.153 -0.254 0.00 0.00 +0.014 C ATOM 21 C LIG 1 -4.246 0.010 -1.152 0.00 0.00 +0.032 C ATOM 22 C LIG 1 -4.214 -1.360 -1.830 0.00 0.00 +0.014 C ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 TORSDOF 3