REMARK Name = BDB051814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.582 -2.642 0.483 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.051 -3.576 -0.399 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.199 -4.037 -0.250 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.818 -4.057 -1.454 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.128 -3.601 -1.624 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.685 -2.655 -0.745 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.904 -2.203 0.331 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -1.280 -2.319 2.750 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.803 -2.145 1.630 0.00 0.00 +0.249 C ATOM 10 N LIG 1 0.393 -1.478 1.406 0.00 0.00 -0.294 N ATOM 11 C LIG 1 1.193 -1.085 2.570 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.644 -0.734 2.207 0.00 0.00 +0.125 C ATOM 13 N LIG 1 2.677 0.342 1.202 0.00 0.00 -0.312 N ATOM 14 C LIG 1 1.656 0.292 0.142 0.00 0.00 +0.125 C ATOM 15 C LIG 1 0.909 -1.057 0.096 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 3.942 0.831 0.881 0.00 0.00 +0.122 A ATOM 17 N LIG 1 5.027 0.213 1.394 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 6.254 0.700 1.089 0.00 0.00 +0.121 A ATOM 19 C LIG 1 6.489 1.811 0.285 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.361 2.466 -0.233 0.00 0.00 -0.013 A ATOM 21 C LIG 1 5.543 3.601 -1.042 0.00 0.00 +0.008 A ATOM 22 C LIG 1 6.826 4.071 -1.333 0.00 0.00 +0.001 A ATOM 23 C LIG 1 7.943 3.416 -0.819 0.00 0.00 +0.001 A ATOM 24 C LIG 1 7.778 2.290 -0.012 0.00 0.00 +0.010 A ATOM 25 C LIG 1 4.087 1.966 0.080 0.00 0.00 +0.052 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -5.125 -2.220 -0.943 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -5.466 -0.828 -0.459 0.00 0.00 +0.046 A ATOM 28 N LIG 1 -5.058 0.351 -1.134 0.00 0.00 -0.296 N ATOM 29 C LIG 1 -5.373 1.603 -0.596 0.00 0.00 +0.114 A ATOM 30 C LIG 1 -4.838 2.596 -1.392 0.00 0.00 +0.054 A ATOM 31 C LIG 1 -4.198 1.963 -2.469 0.00 0.00 +0.078 A ATOM 32 CL LIG 1 -3.404 2.786 -3.726 0.00 0.00 -0.080 Cl ATOM 33 C LIG 1 -6.143 1.732 0.617 0.00 0.00 +0.273 A ATOM 34 O LIG 1 -6.457 2.800 1.131 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.518 0.532 1.180 0.00 0.00 -0.326 N ATOM 36 H LIG 1 -7.053 0.608 2.038 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -4.361 0.608 -2.305 0.00 0.00 +0.133 A ATOM 38 CL LIG 1 -3.832 -0.617 -3.371 0.00 0.00 -0.062 Cl ATOM 39 C LIG 1 -6.193 -0.700 0.672 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4