REMARK Name = BDB035189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.082 -0.178 0.232 0.00 0.00 +0.092 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.814 1.140 0.288 0.00 0.00 +0.067 A ATOM 3 N LIG 1 -2.188 1.077 0.533 0.00 0.00 -0.213 N ATOM 4 C LIG 1 -2.932 2.225 0.602 0.00 0.00 +0.175 A ATOM 5 N LIG 1 -4.195 1.968 0.833 0.00 0.00 -0.205 NA ATOM 6 C LIG 1 -4.203 0.594 0.922 0.00 0.00 +0.189 A ATOM 7 C LIG 1 -2.282 3.483 0.420 0.00 0.00 +0.159 A ATOM 8 N LIG 1 -1.000 3.557 0.190 0.00 0.00 -0.258 NA ATOM 9 N LIG 1 -3.005 0.014 0.726 0.00 0.00 -0.144 NA ATOM 10 C LIG 1 -0.282 2.373 0.129 0.00 0.00 +0.134 A BRANCH 6 11 ATOM 11 C LIG 1 -5.417 -0.151 1.174 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.907 -1.095 0.274 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.046 -1.788 0.539 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.683 -1.518 1.685 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.301 -0.629 2.604 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -6.165 0.042 2.325 0.00 0.00 +0.229 A BRANCH 12 17 ATOM 17 C LIG 1 -5.213 -1.406 -1.042 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -6.027 -1.651 -2.293 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -5.227 -0.391 -2.164 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -5.694 0.947 3.261 0.00 0.00 -0.479 OA ATOM 21 C LIG 1 -6.569 1.140 4.367 0.00 0.00 +0.279 C ENDBRANCH 16 20 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 26 ATOM 22 C LIG 1 4.176 0.054 -0.594 0.00 0.00 +0.088 A ATOM 23 C LIG 1 3.694 0.081 0.716 0.00 0.00 +0.137 A ATOM 24 F LIG 1 4.542 0.159 1.752 0.00 0.00 -0.205 F ATOM 25 C LIG 1 2.327 -0.001 0.990 0.00 0.00 +0.043 A ATOM 26 C LIG 1 1.401 -0.111 -0.056 0.00 0.00 -0.036 A ATOM 27 C LIG 1 1.876 -0.132 -1.374 0.00 0.00 +0.043 A ATOM 28 C LIG 1 3.246 -0.050 -1.629 0.00 0.00 +0.137 A ATOM 29 F LIG 1 3.656 -0.085 -2.906 0.00 0.00 -0.205 F BRANCH 22 31 ATOM 30 N LIG 1 6.409 -0.821 -1.376 0.00 0.00 -0.330 N ATOM 31 C LIG 1 5.603 0.174 -0.864 0.00 0.00 +0.147 A ATOM 32 N LIG 1 6.319 1.260 -0.634 0.00 0.00 -0.223 NA ATOM 33 C LIG 1 7.622 0.978 -1.021 0.00 0.00 +0.162 A ATOM 34 C LIG 1 7.680 -0.322 -1.487 0.00 0.00 +0.120 A BRANCH 33 35 ATOM 35 C LIG 1 8.728 1.986 -0.909 0.00 0.00 +0.436 C ATOM 36 F LIG 1 8.461 3.131 -1.592 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.981 2.339 0.379 0.00 0.00 -0.164 F ATOM 38 F LIG 1 9.901 1.506 -1.411 0.00 0.00 -0.164 F ENDBRANCH 33 35 BRANCH 30 40 ATOM 39 C LIG 1 6.024 -3.103 -0.516 0.00 0.00 +0.027 C ATOM 40 C LIG 1 6.028 -2.178 -1.721 0.00 0.00 +0.120 C ENDBRANCH 30 40 ENDBRANCH 22 31 ENDBRANCH 1 26 TORSDOF 8