REMARK Name = BDB014696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.338 -2.988 0.034 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.868 -2.699 0.191 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.465 -1.371 0.121 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.032 -1.126 0.376 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -1.640 0.238 -0.065 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -0.367 0.867 -0.142 0.00 0.00 +0.150 A ATOM 7 N LIG 1 -0.497 2.124 -0.582 0.00 0.00 -0.156 NA ATOM 8 N LIG 1 -1.812 2.292 -0.802 0.00 0.00 -0.269 N ATOM 9 C LIG 1 -2.278 3.557 -1.315 0.00 0.00 +0.172 C ATOM 10 C LIG 1 -2.541 1.193 -0.484 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -4.005 0.993 -0.577 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -4.391 -0.228 0.285 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -3.070 -3.622 0.365 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 14 ATOM 14 N LIG 1 0.776 0.216 0.195 0.00 0.00 -0.298 N ATOM 15 H LIG 1 0.688 -0.757 0.457 0.00 0.00 +0.154 HD BRANCH 14 16 ATOM 16 C LIG 1 2.122 0.648 0.244 0.00 0.00 +0.034 A ATOM 17 C LIG 1 3.123 -0.301 0.536 0.00 0.00 +0.051 A ATOM 18 C LIG 1 4.479 0.064 0.592 0.00 0.00 +0.069 A ATOM 19 C LIG 1 4.847 1.392 0.352 0.00 0.00 +0.028 A ATOM 20 C LIG 1 3.869 2.338 0.058 0.00 0.00 +0.004 A ATOM 21 C LIG 1 2.523 1.966 0.004 0.00 0.00 +0.023 A BRANCH 18 22 ATOM 22 N LIG 1 5.486 -0.892 0.887 0.00 0.00 -0.220 N ATOM 23 N LIG 1 6.800 -0.557 0.951 0.00 0.00 -0.154 NA ATOM 24 C LIG 1 7.377 -1.721 1.248 0.00 0.00 +0.245 A ATOM 25 N LIG 1 6.531 -2.779 1.380 0.00 0.00 -0.222 NA ATOM 26 C LIG 1 5.357 -2.236 1.149 0.00 0.00 +0.225 A ENDBRANCH 18 22 ENDBRANCH 14 16 ENDBRANCH 6 14 TORSDOF 3