REMARK Name = BDB007117 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.008 -4.330 1.533 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.975 -2.870 1.236 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.808 -2.079 1.001 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.224 -0.769 0.756 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.306 0.260 0.477 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.058 -0.050 0.458 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.499 -1.349 0.717 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.608 -0.763 0.833 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.573 -2.370 0.974 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.073 -2.028 1.143 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.520 -2.349 1.304 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.945 -1.702 0.702 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.815 -0.705 1.083 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.454 0.141 1.500 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.304 -2.831 0.389 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.249 -0.926 1.168 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.615 -1.708 2.433 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.959 0.412 1.050 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.396 0.845 -0.215 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.029 2.087 -0.390 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.214 2.907 0.730 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.772 2.500 1.988 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.144 1.265 2.147 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.508 2.553 -1.754 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -8.580 1.620 -2.323 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -6.344 2.709 -2.736 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 3.443 0.426 0.661 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.171 0.449 -0.664 0.00 0.00 -0.024 A ATOM 29 C LIG 1 5.567 0.629 -0.696 0.00 0.00 +0.051 A ATOM 30 C LIG 1 6.256 0.668 -1.910 0.00 0.00 +0.122 A ATOM 31 C LIG 1 5.543 0.535 -3.103 0.00 0.00 +0.046 A ATOM 32 C LIG 1 4.159 0.369 -3.088 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.475 0.331 -1.875 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 O LIG 1 7.604 0.825 -2.076 0.00 0.00 -0.478 OA BRANCH 34 35 ATOM 35 C LIG 1 8.435 1.001 -0.918 0.00 0.00 +0.278 C ATOM 36 C LIG 1 8.832 -0.352 -0.344 0.00 0.00 +0.064 C BRANCH 35 37 ATOM 37 C LIG 1 9.697 1.737 -1.374 0.00 0.00 +0.346 C ATOM 38 O LIG 1 10.638 2.008 -0.641 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 9.678 2.077 -2.687 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 8.841 1.759 -3.093 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10