REMARK Name = BDB010847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.276 0.019 1.242 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.579 1.184 0.910 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.745 2.315 1.695 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.067 3.381 1.200 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 0.510 2.966 0.084 0.00 0.00 +0.151 A ATOM 6 N LIG 1 -1.512 2.384 2.793 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.138 1.227 3.039 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.295 1.597 -0.082 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.069 0.087 2.332 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.997 1.222 4.244 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.111 2.346 4.972 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.669 3.234 4.793 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.931 2.068 5.993 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.274 2.844 6.870 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.323 0.755 5.889 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.683 0.232 4.718 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.221 -1.161 0.515 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.335 -1.328 0.067 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -0.876 -2.959 2.152 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -1.816 -2.371 1.094 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -2.012 -3.405 -0.030 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -3.045 -3.039 -1.134 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -4.090 -3.864 -0.362 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -2.921 -4.627 0.287 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 1.217 3.894 -0.890 0.00 0.00 +0.168 C ATOM 26 C LIG 1 1.651 5.201 -0.219 0.00 0.00 +0.057 C BRANCH 25 27 ATOM 27 C LIG 1 0.398 4.175 -2.144 0.00 0.00 +0.117 A ATOM 28 S LIG 1 -1.205 4.807 -2.072 0.00 0.00 -0.077 S ATOM 29 C LIG 1 -1.273 4.807 -3.782 0.00 0.00 +0.066 A ATOM 30 C LIG 1 -0.089 4.328 -4.297 0.00 0.00 +0.119 A ATOM 31 N LIG 1 0.866 3.967 -3.365 0.00 0.00 -0.249 NA ENDBRANCH 25 27 BRANCH 25 32 ATOM 32 O LIG 1 2.427 3.245 -1.315 0.00 0.00 -0.374 OA ATOM 33 H LIG 1 2.535 3.490 -2.257 0.00 0.00 +0.211 HD ENDBRANCH 25 32 ENDBRANCH 5 25 BRANCH 8 34 ATOM 34 C LIG 1 0.813 0.786 -1.174 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 2.239 0.225 -0.955 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.825 -0.186 -2.323 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.922 -1.234 -2.181 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.365 -2.541 -1.593 0.00 0.00 -0.014 C ATOM 39 C LIG 1 4.495 -3.363 -0.973 0.00 0.00 +0.007 C ATOM 40 C LIG 1 2.226 -2.295 -0.585 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.328 -0.921 0.071 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9