REMARK Name = BDB013926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.990 -1.597 -1.166 0.00 0.00 +0.160 C ATOM 2 C LIG 1 0.818 -1.110 0.285 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.628 -0.312 0.769 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.283 -1.614 0.979 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.845 -2.911 0.704 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -0.069 -3.965 0.164 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.670 -5.207 -0.117 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.020 -5.423 0.142 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.782 -4.406 0.696 0.00 0.00 +0.002 A ATOM 10 C LIG 1 1.420 -3.840 -0.051 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -2.199 -3.168 0.980 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.778 -2.900 -1.194 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 0.975 0.444 -2.542 0.00 0.00 +0.230 C ATOM 14 N LIG 1 1.698 -0.543 -1.896 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.548 -0.227 -1.440 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -0.225 0.345 -2.795 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 1.804 1.698 -2.901 0.00 0.00 +0.137 C ATOM 18 C LIG 1 1.889 2.596 -1.668 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 1.351 1.799 -5.287 0.00 0.00 +0.101 C ATOM 20 N LIG 1 1.166 2.456 -3.999 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 0.162 2.492 -3.799 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.673 -0.912 2.213 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -0.964 0.581 2.039 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -0.165 1.600 2.664 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -0.511 2.971 2.484 0.00 0.00 +0.000 A ATOM 26 C LIG 1 0.274 3.985 3.100 0.00 0.00 +0.059 A ATOM 27 C LIG 1 1.388 3.661 3.881 0.00 0.00 +0.019 A ATOM 28 C LIG 1 1.740 2.335 4.058 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -1.636 3.285 1.692 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -2.403 2.298 1.086 0.00 0.00 +0.046 A ATOM 31 C LIG 1 0.978 1.330 3.460 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.064 0.959 1.242 0.00 0.00 +0.125 A BRANCH 26 33 ATOM 33 C LIG 1 -0.038 5.381 2.951 0.00 0.00 +0.100 C ATOM 34 N LIG 1 -0.285 6.510 2.843 0.00 0.00 -0.191 NA ENDBRANCH 26 33 BRANCH 32 35 ATOM 35 O LIG 1 -2.831 -0.031 0.684 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -3.164 0.198 -0.686 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7