REMARK Name = BDB017387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.201 0.161 -1.183 0.00 0.00 +0.161 C ATOM 2 C LIG 1 0.593 0.027 0.232 0.00 0.00 +0.238 C ATOM 3 O LIG 1 0.066 1.011 0.771 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.776 -1.126 0.953 0.00 0.00 -0.263 N ATOM 5 C LIG 1 1.169 -2.419 0.441 0.00 0.00 +0.209 C ATOM 6 C LIG 1 1.323 -3.323 1.668 0.00 0.00 +0.054 C ATOM 7 C LIG 1 1.247 -2.377 2.865 0.00 0.00 +0.036 C ATOM 8 O LIG 1 2.410 -2.264 -0.214 0.00 0.00 -0.359 OA ATOM 9 C LIG 1 2.270 -2.121 -1.625 0.00 0.00 +0.164 C ATOM 10 C LIG 1 0.397 -1.219 2.361 0.00 0.00 +0.164 C ATOM 11 C LIG 1 1.214 -1.098 -2.044 0.00 0.00 +0.060 C ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 3.048 1.564 -2.051 0.00 0.00 +0.230 C ATOM 13 N LIG 1 2.523 0.764 -1.060 0.00 0.00 -0.303 N ATOM 14 H LIG 1 3.144 0.376 -0.359 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 2.422 1.871 -3.066 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 4.499 2.032 -1.799 0.00 0.00 +0.137 C ATOM 17 C LIG 1 4.500 3.561 -1.746 0.00 0.00 +0.034 C BRANCH 16 19 ATOM 18 C LIG 1 6.737 1.839 -2.793 0.00 0.00 +0.101 C ATOM 19 N LIG 1 5.334 1.462 -2.879 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 4.949 1.774 -3.776 0.00 0.00 +0.122 HD ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 10 21 ATOM 21 C LIG 1 -1.120 -1.493 2.441 0.00 0.00 +0.234 C ATOM 22 N LIG 1 -1.886 -0.377 2.163 0.00 0.00 -0.303 N ATOM 23 H LIG 1 -1.374 0.403 1.746 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -1.593 -2.607 2.650 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.259 -0.517 1.711 0.00 0.00 +0.134 C BRANCH 25 26 ATOM 26 C LIG 1 -3.230 -0.807 0.207 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -2.970 0.205 -0.732 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -2.888 -0.091 -2.094 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.055 -1.401 -2.536 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.303 -2.418 -1.617 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.385 -2.125 -0.254 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -4.139 0.676 2.080 0.00 0.00 -0.023 A ATOM 33 C LIG 1 -3.635 1.855 2.661 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -4.484 2.920 2.979 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.852 2.824 2.724 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.373 1.664 2.152 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.526 0.598 1.837 0.00 0.00 +0.006 A ENDBRANCH 25 32 ENDBRANCH 22 25 ENDBRANCH 10 21 TORSDOF 7