REMARK Name = BDB007029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.662 -0.495 0.789 0.00 0.00 +0.040 A ATOM 2 C LIG 1 3.326 -0.894 0.621 0.00 0.00 +0.036 A ATOM 3 C LIG 1 2.326 -0.021 1.004 0.00 0.00 +0.059 A ATOM 4 N LIG 1 0.930 -0.162 0.939 0.00 0.00 -0.268 N ATOM 5 C LIG 1 0.321 1.097 1.414 0.00 0.00 +0.126 C ATOM 6 C LIG 1 1.458 2.003 1.953 0.00 0.00 +0.025 C ATOM 7 C LIG 1 1.383 2.142 3.476 0.00 0.00 +0.019 C ATOM 8 C LIG 1 1.446 3.377 1.281 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.255 -1.252 0.415 0.00 0.00 +0.234 C ATOM 10 O LIG 1 0.806 -2.241 -0.074 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 2.680 1.204 1.553 0.00 0.00 +0.070 A ATOM 12 N LIG 1 3.944 1.626 1.747 0.00 0.00 -0.257 NA ATOM 13 C LIG 1 4.909 0.758 1.359 0.00 0.00 +0.120 A ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 5.806 -1.385 0.379 0.00 0.00 +0.276 C ATOM 15 F LIG 1 5.689 -2.622 0.953 0.00 0.00 -0.200 F ATOM 16 F LIG 1 7.015 -0.922 0.815 0.00 0.00 -0.200 F BRANCH 14 17 ATOM 17 C LIG 1 5.896 -1.610 -1.138 0.00 0.00 +0.083 C BRANCH 17 19 ATOM 18 C LIG 1 7.350 0.413 -1.724 0.00 0.00 +0.007 C ATOM 19 C LIG 1 6.056 -0.348 -2.011 0.00 0.00 -0.011 C ATOM 20 C LIG 1 6.011 -0.741 -3.491 0.00 0.00 +0.007 C ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 1 14 BRANCH 9 21 ATOM 21 C LIG 1 -1.283 -1.204 0.471 0.00 0.00 +0.181 C BRANCH 21 22 ATOM 22 N LIG 1 -1.851 -0.213 -0.470 0.00 0.00 -0.287 NA ATOM 23 C LIG 1 -3.343 -0.158 -0.439 0.00 0.00 +0.085 C ATOM 24 C LIG 1 -3.851 0.995 -1.367 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -2.922 1.416 -2.439 0.00 0.00 -0.311 NA ATOM 26 H LIG 1 -2.229 2.015 -1.985 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -2.174 0.266 -2.976 0.00 0.00 +0.065 C ATOM 28 C LIG 1 -3.081 -0.641 -3.814 0.00 0.00 +0.025 C ATOM 29 C LIG 1 -1.416 -0.520 -1.865 0.00 0.00 +0.103 C BRANCH 23 30 ATOM 30 C LIG 1 -3.968 0.009 0.985 0.00 0.00 +0.104 C BRANCH 30 31 ATOM 31 N LIG 1 -5.436 0.168 1.007 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 -5.916 0.589 2.345 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -5.908 -0.534 3.395 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -6.662 -1.669 2.953 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -6.164 -2.159 1.702 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -6.171 -1.059 0.626 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 21 22 ENDBRANCH 9 21 TORSDOF 7