REMARK Name = BDB048168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.069 -0.290 -0.132 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.101 1.119 0.035 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.346 1.750 0.119 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -2.531 1.010 0.042 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.492 -0.381 -0.120 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -1.252 -1.028 -0.206 0.00 0.00 +0.040 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.123 1.808 0.129 0.00 0.00 -0.326 N ATOM 8 C LIG 1 1.343 2.950 -0.786 0.00 0.00 +0.120 C ATOM 9 C LIG 1 0.992 4.328 -0.178 0.00 0.00 +0.103 C ATOM 10 N LIG 1 1.550 4.537 1.173 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 1.127 5.825 1.717 0.00 0.00 +0.105 C ATOM 12 C LIG 1 1.132 3.430 2.058 0.00 0.00 +0.103 C ATOM 13 C LIG 1 1.575 2.054 1.518 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 1 15 ATOM 14 C LIG 1 1.565 -2.174 -0.416 0.00 0.00 +0.250 C ATOM 15 N LIG 1 1.221 -0.857 -0.237 0.00 0.00 -0.280 N ATOM 16 H LIG 1 1.949 -0.147 -0.175 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 0.812 -3.132 -0.533 0.00 0.00 -0.270 OA BRANCH 14 22 ATOM 18 C LIG 1 6.431 -1.833 1.089 0.00 0.00 +0.048 C ATOM 19 C LIG 1 5.358 -2.274 0.131 0.00 0.00 +0.006 A ATOM 20 C LIG 1 3.992 -1.991 0.354 0.00 0.00 +0.059 A ATOM 21 CL LIG 1 3.534 -1.148 1.799 0.00 0.00 -0.082 Cl ATOM 22 C LIG 1 3.019 -2.430 -0.566 0.00 0.00 +0.058 A ATOM 23 C LIG 1 3.396 -3.180 -1.691 0.00 0.00 +0.050 A ATOM 24 C LIG 1 4.748 -3.450 -1.900 0.00 0.00 +0.162 A ATOM 25 C LIG 1 5.719 -3.009 -1.008 0.00 0.00 +0.158 A ATOM 26 F LIG 1 7.010 -3.309 -1.210 0.00 0.00 -0.203 F BRANCH 24 27 ATOM 27 N LIG 1 5.150 -4.198 -3.071 0.00 0.00 +0.059 N ATOM 28 O LIG 1 6.057 -3.724 -3.766 0.00 0.00 -0.126 OA ATOM 29 O LIG 1 4.528 -5.240 -3.311 0.00 0.00 -0.126 OA ENDBRANCH 24 27 ENDBRANCH 14 22 ENDBRANCH 1 15 BRANCH 5 30 ATOM 30 C LIG 1 -3.729 -1.211 -0.203 0.00 0.00 +0.344 C ATOM 31 O LIG 1 -3.718 -2.427 -0.309 0.00 0.00 -0.245 OA BRANCH 30 32 ATOM 32 O LIG 1 -4.841 -0.388 -0.145 0.00 0.00 -0.422 OA BRANCH 32 33 ATOM 33 C LIG 1 -6.080 -1.038 -0.190 0.00 0.00 +0.132 A ATOM 34 C LIG 1 -6.479 -1.899 0.832 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -7.746 -2.480 0.777 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -8.606 -2.184 -0.283 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.203 -1.304 -1.290 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -6.937 -0.722 -1.242 0.00 0.00 +0.046 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7