REMARK Name = BDB015258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.431 0.915 0.313 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.299 1.477 -1.001 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 -0.479 1.032 -1.392 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.944 1.002 0.996 0.00 0.00 +0.192 C BRANCH 4 5 ATOM 5 O LIG 1 -1.891 0.264 0.213 0.00 0.00 -0.374 OA BRANCH 5 10 ATOM 6 C LIG 1 -6.456 0.537 -1.006 0.00 0.00 +0.104 C ATOM 7 N LIG 1 -6.130 0.284 0.396 0.00 0.00 -0.305 NA ATOM 8 C LIG 1 -5.407 -0.981 0.578 0.00 0.00 +0.086 C ATOM 9 C LIG 1 -3.951 -0.934 0.124 0.00 0.00 +0.047 C ATOM 10 C LIG 1 -3.200 0.217 0.793 0.00 0.00 +0.121 C ATOM 11 C LIG 1 -3.953 1.531 0.575 0.00 0.00 +0.047 C ATOM 12 C LIG 1 -5.412 1.406 1.010 0.00 0.00 +0.086 C ENDBRANCH 5 10 ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 C LIG 1 0.922 -0.553 0.230 0.00 0.00 +0.118 C BRANCH 13 14 ATOM 14 N LIG 1 2.322 -0.806 -0.161 0.00 0.00 -0.295 NA ATOM 15 C LIG 1 3.287 -0.362 0.857 0.00 0.00 +0.120 C ATOM 16 C LIG 1 4.730 -0.595 0.457 0.00 0.00 -0.030 A ATOM 17 C LIG 1 5.085 -0.765 -0.893 0.00 0.00 -0.042 A ATOM 18 C LIG 1 6.429 -0.948 -1.243 0.00 0.00 +0.004 A ATOM 19 C LIG 1 7.420 -0.935 -0.261 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.074 -0.748 1.075 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.012 -0.817 -1.952 0.00 0.00 +0.051 C ATOM 22 C LIG 1 5.737 -0.576 1.434 0.00 0.00 +0.005 A ATOM 23 C LIG 1 2.674 -0.237 -1.468 0.00 0.00 +0.089 C ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 6