REMARK Name = BDB024487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.538 0.048 0.196 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.391 -0.673 -0.179 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.588 -2.102 -0.507 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.324 -2.274 -1.846 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.300 -2.939 -0.565 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.325 -2.497 0.505 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.006 -1.054 0.248 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.303 -0.543 0.357 0.00 0.00 +0.094 A ATOM 9 C LIG 1 0.542 0.801 0.111 0.00 0.00 +0.067 A ATOM 10 N LIG 1 1.890 0.950 0.300 0.00 0.00 -0.342 N ATOM 11 H LIG 1 2.416 1.806 0.188 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 2.420 -0.273 0.641 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -0.456 1.699 -0.253 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -1.756 1.185 -0.349 0.00 0.00 +0.026 A ATOM 15 N LIG 1 1.474 -1.190 0.684 0.00 0.00 -0.232 NA ATOM 16 C LIG 1 -2.053 -0.163 -0.088 0.00 0.00 +0.045 A ATOM 17 O LIG 1 -5.679 -0.400 0.110 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -5.445 1.981 1.178 0.00 0.00 +0.282 C ATOM 19 O LIG 1 -4.285 1.274 0.738 0.00 0.00 -0.453 OA ENDBRANCH 1 19 BRANCH 12 20 ATOM 20 C LIG 1 3.872 -0.488 0.935 0.00 0.00 +0.109 C BRANCH 20 21 ATOM 21 C LIG 1 4.793 0.510 0.269 0.00 0.00 -0.040 A ATOM 22 C LIG 1 5.348 1.569 1.001 0.00 0.00 +0.004 A ATOM 23 C LIG 1 6.171 2.506 0.374 0.00 0.00 +0.000 A ATOM 24 C LIG 1 6.445 2.394 -0.988 0.00 0.00 +0.000 A ATOM 25 C LIG 1 5.898 1.346 -1.725 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.075 0.408 -1.102 0.00 0.00 +0.004 A ENDBRANCH 20 21 ENDBRANCH 12 20 TORSDOF 3