REMARK Name = BDB004833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.597 0.241 0.590 0.00 0.00 +0.130 A ATOM 2 C LIG 1 1.884 -0.269 0.319 0.00 0.00 +0.044 A ATOM 3 C LIG 1 2.950 0.339 1.004 0.00 0.00 +0.088 A ATOM 4 C LIG 1 4.237 -0.162 0.760 0.00 0.00 +0.066 A ATOM 5 C LIG 1 4.487 -1.206 -0.142 0.00 0.00 +0.060 A ATOM 6 C LIG 1 3.428 -1.774 -0.821 0.00 0.00 +0.118 A ATOM 7 N LIG 1 2.741 1.376 1.832 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 1.485 1.792 2.003 0.00 0.00 +0.223 A ATOM 9 C LIG 1 2.135 -1.322 -0.600 0.00 0.00 +0.058 A ATOM 10 N LIG 1 0.401 1.273 1.425 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 5.395 0.399 1.482 0.00 0.00 +0.244 C ATOM 12 O LIG 1 5.497 0.347 2.699 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 6.374 0.944 0.696 0.00 0.00 -0.325 N ATOM 14 H LIG 1 6.223 1.152 -0.281 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 7.121 1.428 1.179 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 -0.516 -0.342 -0.051 0.00 0.00 -0.320 N ATOM 17 H LIG 1 -0.538 -1.337 0.189 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -1.839 0.218 0.277 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -2.154 1.423 -0.597 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -1.923 1.403 -1.982 0.00 0.00 +0.043 A ATOM 21 C LIG 1 -2.235 2.513 -2.759 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -2.010 2.479 -4.079 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -2.781 3.657 -2.189 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -3.014 3.693 -0.816 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -2.703 2.583 -0.025 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 26 ATOM 26 C LIG 1 -2.908 -0.907 0.066 0.00 0.00 +0.110 C BRANCH 26 28 ATOM 27 C LIG 1 -2.574 -2.119 2.160 0.00 0.00 +0.104 C ATOM 28 N LIG 1 -2.542 -2.207 0.696 0.00 0.00 -0.306 NA ATOM 29 C LIG 1 -3.473 -3.249 0.249 0.00 0.00 +0.104 C ENDBRANCH 26 28 ENDBRANCH 18 26 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 30 ATOM 30 O LIG 1 3.696 -2.777 -1.700 0.00 0.00 -0.507 OA ATOM 31 H LIG 1 2.865 -3.084 -2.100 0.00 0.00 +0.292 HD ENDBRANCH 6 30 TORSDOF 7