REMARK Name = BDB014010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.007 0.900 0.062 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.662 1.569 0.432 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.653 2.660 1.013 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.488 0.905 0.058 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.493 -0.400 -0.532 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.302 -1.426 -0.002 0.00 0.00 -0.026 A ATOM 7 C LIG 1 1.305 -2.692 -0.608 0.00 0.00 +0.005 A ATOM 8 C LIG 1 0.505 -2.948 -1.720 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.306 -1.943 -2.236 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.122 -1.197 1.240 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.312 -0.678 -1.646 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.313 -0.281 0.985 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.068 2.236 -0.701 0.00 0.00 +0.230 C ATOM 14 N LIG 1 4.072 1.905 0.163 0.00 0.00 -0.303 N ATOM 15 H LIG 1 4.023 2.517 0.971 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 5.834 3.150 -0.376 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.233 1.543 -2.070 0.00 0.00 +0.137 C ATOM 18 C LIG 1 4.164 2.030 -3.047 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.433 -0.424 -1.308 0.00 0.00 +0.101 C ATOM 20 N LIG 1 5.228 0.065 -1.973 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 5.201 -0.322 -2.916 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.799 1.586 0.269 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.752 0.826 1.183 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -1.624 0.817 2.601 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -2.532 0.036 3.360 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -2.427 -0.008 4.761 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -1.443 0.714 5.432 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -0.553 1.493 4.708 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.539 -0.699 2.716 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -3.688 -0.679 1.325 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -0.645 1.545 3.315 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.784 0.080 0.577 0.00 0.00 +0.009 A BRANCH 30 33 ATOM 33 C LIG 1 -4.755 -1.542 0.683 0.00 0.00 +0.070 C BRANCH 33 34 ATOM 34 C LIG 1 -5.279 -1.069 -0.655 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -4.946 -1.754 -1.832 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -5.421 -1.311 -3.067 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.229 -0.178 -3.139 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.566 0.511 -1.976 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.095 0.069 -0.739 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7