REMARK Name = BDB004133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.194 -0.738 2.242 0.00 0.00 +0.138 C ATOM 2 N LIG 1 -0.854 -0.824 1.259 0.00 0.00 -0.272 N ATOM 3 C LIG 1 -0.819 -0.263 -0.033 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -2.018 -0.573 -0.696 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -2.243 -0.167 -2.006 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -1.257 0.572 -2.653 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.062 0.893 -1.993 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -2.940 -1.381 0.206 0.00 0.00 +0.143 C ATOM 9 C LIG 1 -3.055 -2.842 -0.284 0.00 0.00 +0.047 C ATOM 10 C LIG 1 0.179 0.477 -0.671 0.00 0.00 -0.003 A ATOM 11 C LIG 1 -2.058 -1.496 1.499 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -2.379 -2.050 2.543 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 13 ATOM 13 N LIG 1 -4.256 -0.678 0.430 0.00 0.00 -0.243 N ATOM 14 C LIG 1 -5.300 -0.935 -0.458 0.00 0.00 +0.313 C ATOM 15 O LIG 1 -5.186 -1.546 -1.520 0.00 0.00 -0.252 OA ATOM 16 N LIG 1 -6.562 -0.600 -0.056 0.00 0.00 -0.239 N ATOM 17 H LIG 1 -7.202 -1.122 -0.642 0.00 0.00 +0.159 HD ATOM 18 C LIG 1 -6.959 0.695 -0.180 0.00 0.00 +0.224 C ATOM 19 O LIG 1 -7.946 0.972 -0.863 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -6.144 1.770 0.501 0.00 0.00 +0.124 C ATOM 21 C LIG 1 -5.164 1.310 1.528 0.00 0.00 -0.002 C ATOM 22 C LIG 1 -4.333 0.263 1.455 0.00 0.00 +0.077 C ENDBRANCH 8 13 BRANCH 10 23 ATOM 23 C LIG 1 1.444 0.863 -0.045 0.00 0.00 +0.017 C ATOM 24 C LIG 1 2.624 0.385 -0.467 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 3.867 0.794 0.217 0.00 0.00 +0.332 C ATOM 26 O LIG 1 3.915 1.518 1.196 0.00 0.00 -0.246 OA BRANCH 25 27 ATOM 27 O LIG 1 4.901 0.217 -0.437 0.00 0.00 -0.456 OA BRANCH 27 28 ATOM 28 C LIG 1 6.265 0.432 0.008 0.00 0.00 +0.106 C ATOM 29 C LIG 1 6.483 -0.122 1.421 0.00 0.00 +0.055 C ATOM 30 C LIG 1 6.657 1.910 -0.093 0.00 0.00 +0.055 C ATOM 31 C LIG 1 7.129 -0.374 -0.974 0.00 0.00 +0.055 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 10 23 TORSDOF 5