REMARK Name = BDB026189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.901 -1.861 -0.187 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.179 -0.647 -0.218 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.217 -0.656 -0.282 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.944 -1.865 -0.322 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.202 -3.055 -0.287 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.822 -4.246 -0.298 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.193 -3.063 -0.222 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.844 -0.729 -1.509 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.528 -2.201 -1.193 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.080 -2.698 0.094 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.521 -2.519 0.220 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.365 -2.123 1.254 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.833 -2.325 1.173 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.317 -1.793 -0.114 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.989 -2.443 -1.266 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.420 -1.845 -0.386 0.00 0.00 +0.079 A ATOM 17 N LIG 1 4.004 -0.777 0.203 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 5.338 -0.651 0.173 0.00 0.00 +0.218 A ATOM 19 N LIG 1 6.127 -1.563 -0.414 0.00 0.00 -0.223 NA ATOM 20 C LIG 1 5.532 -2.620 -0.992 0.00 0.00 +0.116 A ATOM 21 C LIG 1 4.175 -2.811 -1.014 0.00 0.00 +0.048 A BRANCH 18 22 ATOM 22 N LIG 1 5.922 0.443 0.787 0.00 0.00 -0.295 N ATOM 23 C LIG 1 5.083 1.617 1.066 0.00 0.00 +0.136 C ATOM 24 C LIG 1 5.616 2.838 0.300 0.00 0.00 +0.179 C ATOM 25 O LIG 1 6.977 3.178 0.619 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 7.760 2.050 1.046 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.313 0.722 0.416 0.00 0.00 +0.136 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.965 0.524 -0.179 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.958 0.300 -0.128 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.551 1.830 -0.261 0.00 0.00 +0.249 C ATOM 31 O LIG 1 0.585 2.255 -0.417 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.655 2.817 -0.210 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -2.509 2.942 0.900 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -3.543 3.895 0.841 0.00 0.00 +0.051 A ATOM 35 C LIG 1 -3.692 4.706 -0.281 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -4.681 5.608 -0.313 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -2.828 4.599 -1.362 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -1.803 3.655 -1.327 0.00 0.00 +0.016 A BRANCH 33 39 ATOM 39 C LIG 1 -2.345 2.093 2.131 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -1.059 1.968 2.547 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.820 0.831 1.944 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.031 2.580 3.205 0.00 0.00 -0.166 F ENDBRANCH 33 39 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6