REMARK Name = BDB010807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.010 -0.920 0.255 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.737 -1.439 -0.009 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.341 -2.603 0.629 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.901 -2.985 0.249 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 -1.322 -2.103 -0.641 0.00 0.00 +0.145 A ATOM 6 N LIG 1 1.087 -3.293 1.502 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.287 -2.751 1.677 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.340 -1.125 -0.830 0.00 0.00 -0.321 N ATOM 9 N LIG 1 2.780 -1.629 1.106 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.212 -3.434 2.608 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.439 -2.920 2.800 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.822 -2.096 2.368 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.064 -3.716 3.675 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.201 -3.566 4.093 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.210 -4.731 4.025 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.996 -4.508 3.296 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.501 0.242 -0.311 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.775 0.924 -0.470 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.965 0.013 -0.347 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.770 0.864 0.084 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 3.852 1.226 1.575 0.00 0.00 +0.009 C ATOM 22 C LIG 1 2.769 2.198 2.127 0.00 0.00 +0.005 C ATOM 23 C LIG 1 3.755 3.354 1.887 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.892 2.319 1.956 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -2.665 -2.279 -1.364 0.00 0.00 +0.125 C ATOM 26 C LIG 1 -2.567 -3.570 -2.204 0.00 0.00 +0.050 C BRANCH 25 27 ATOM 27 C LIG 1 -3.903 -2.266 -0.368 0.00 0.00 -0.002 C ATOM 28 C LIG 1 -5.244 -2.374 -1.139 0.00 0.00 +0.014 C ATOM 29 C LIG 1 -3.961 -0.938 0.424 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.883 -3.426 0.652 0.00 0.00 +0.014 C ENDBRANCH 25 27 BRANCH 25 31 ATOM 31 O LIG 1 -2.826 -1.207 -2.300 0.00 0.00 -0.381 OA ATOM 32 H LIG 1 -3.527 -1.462 -2.923 0.00 0.00 +0.211 HD ENDBRANCH 25 31 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.364 -0.056 -1.818 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -1.226 1.163 -1.430 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.458 2.058 -2.658 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.339 3.261 -2.322 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.770 4.078 -1.155 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.705 5.232 -0.797 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.519 3.184 0.066 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.627 1.994 -0.287 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9