REMARK Name = BDB026938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.726 -1.209 0.426 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.674 -2.616 1.005 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.406 -3.733 0.196 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.371 -5.016 0.745 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.611 -5.201 2.104 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.888 -4.105 2.918 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.922 -2.821 2.372 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.440 -0.901 -0.399 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.421 -1.083 -1.622 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.654 0.803 -0.797 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.193 0.764 0.529 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.876 0.334 0.749 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.020 -0.054 -0.284 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.762 -0.425 0.306 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.909 -0.255 1.672 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.514 -0.019 -1.606 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.180 0.191 1.924 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.557 0.386 2.842 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.827 0.402 -1.849 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 N LIG 1 6.572 2.220 -0.305 0.00 0.00 -0.312 N ATOM 21 H LIG 1 5.980 2.681 0.372 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 6.039 1.242 -1.121 0.00 0.00 +0.244 C ATOM 23 O LIG 1 6.631 0.762 -2.079 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 8.971 1.880 0.084 0.00 0.00 +0.024 C ATOM 25 C LIG 1 7.897 2.757 -0.533 0.00 0.00 +0.101 C ENDBRANCH 20 25 ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.909 -0.982 -0.441 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.825 -1.581 -1.263 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.191 -1.184 0.233 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.361 -0.723 -0.652 0.00 0.00 +0.051 C BRANCH 29 30 ATOM 30 C LIG 1 -5.426 0.780 -0.832 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -6.024 1.635 0.109 0.00 0.00 +0.045 A ATOM 32 CL LIG 1 -6.759 1.033 1.553 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -6.043 3.019 -0.094 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -5.457 3.569 -1.237 0.00 0.00 +0.053 A ATOM 35 C LIG 1 -4.852 2.732 -2.176 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -4.836 1.350 -1.973 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -5.473 4.988 -1.440 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -5.488 6.137 -1.599 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10