REMARK Name = BDB027067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.997 -0.050 0.967 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.448 0.493 -0.386 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -3.602 -0.046 -0.988 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -4.045 0.414 -2.229 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.341 1.413 -2.893 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.191 1.950 -2.318 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.745 1.492 -1.077 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -1.318 -1.375 0.847 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -1.918 -1.974 0.282 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 0.015 -1.332 0.233 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 0.497 -2.756 -0.089 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 4.430 -2.652 -1.889 0.00 0.00 -0.039 A ATOM 13 C LIG 1 4.287 -2.741 -0.498 0.00 0.00 +0.004 A ATOM 14 C LIG 1 3.017 -2.785 0.081 0.00 0.00 +0.004 A ATOM 15 C LIG 1 1.869 -2.748 -0.720 0.00 0.00 -0.046 A ATOM 16 C LIG 1 2.012 -2.666 -2.110 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.281 -2.622 -2.690 0.00 0.00 +0.004 A BRANCH 12 18 ATOM 18 C LIG 1 5.801 -2.565 -2.518 0.00 0.00 +0.130 C BRANCH 18 22 ATOM 19 C LIG 1 5.938 1.204 -3.011 0.00 0.00 +0.128 C ATOM 20 N LIG 1 5.806 -0.117 -2.451 0.00 0.00 -0.318 N ATOM 21 H LIG 1 5.180 -0.230 -1.661 0.00 0.00 +0.148 HD ATOM 22 C LIG 1 6.087 -1.238 -3.205 0.00 0.00 +0.217 C ATOM 23 O LIG 1 6.587 -1.186 -4.327 0.00 0.00 -0.275 OA ENDBRANCH 18 22 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -1.218 0.960 1.853 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -0.042 1.262 1.627 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -1.902 1.564 3.007 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -3.279 1.926 3.208 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -3.387 2.440 4.504 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -4.596 2.883 5.054 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -5.738 2.819 4.254 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.667 2.341 2.951 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -2.129 2.425 5.058 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -1.907 2.759 5.986 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -4.450 1.900 2.417 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -1.229 1.924 4.163 0.00 0.00 +0.095 A ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9