REMARK Name = BDB010830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.445 -1.230 0.845 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.059 -1.300 0.686 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.639 -2.357 1.256 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.970 -2.296 0.977 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 -2.121 -1.239 0.203 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -0.081 -3.340 1.976 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.241 -3.209 2.068 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.921 -0.563 0.051 0.00 0.00 -0.321 N ATOM 9 N LIG 1 2.018 -2.231 1.547 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 1.973 -4.249 2.825 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.311 -4.167 2.915 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.903 -3.461 2.511 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.719 -5.215 3.640 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.875 -5.476 3.932 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 2.617 -5.949 4.002 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.482 -5.275 3.441 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.237 -0.227 0.306 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.778 0.672 0.274 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 3.769 0.687 1.981 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.645 -0.141 0.700 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.497 0.502 -0.402 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.456 -0.142 -1.817 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.697 1.273 -2.385 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.048 1.822 -1.096 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -3.433 -0.849 -0.419 0.00 0.00 +0.183 C BRANCH 25 26 ATOM 26 C LIG 1 -3.686 -1.548 -1.772 0.00 0.00 +0.029 C ATOM 27 C LIG 1 -4.999 -1.050 -2.414 0.00 0.00 +0.034 C ATOM 28 C LIG 1 -6.108 -2.084 -2.295 0.00 0.00 +0.160 C ATOM 29 O LIG 1 -5.778 -3.296 -2.972 0.00 0.00 -0.380 OA ATOM 30 C LIG 1 -4.413 -3.699 -2.866 0.00 0.00 +0.160 C ATOM 31 C LIG 1 -3.690 -3.088 -1.674 0.00 0.00 +0.034 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 O LIG 1 -4.454 -1.189 0.518 0.00 0.00 -0.384 OA ATOM 33 H LIG 1 -4.106 -1.947 1.033 0.00 0.00 +0.210 HD ENDBRANCH 25 32 ENDBRANCH 5 25 BRANCH 8 34 ATOM 34 C LIG 1 -0.756 0.665 -0.710 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 -1.205 1.941 0.036 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.274 3.112 -0.965 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.251 4.458 -0.250 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.077 4.675 0.495 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.119 5.660 1.647 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.701 3.354 0.981 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.350 2.288 1.273 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9