REMARK Name = BDB025704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.794 -1.057 -0.374 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.204 -2.304 -0.114 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.952 -3.418 -0.102 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.161 -2.444 0.134 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.992 -1.324 0.122 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.423 -0.058 -0.145 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.949 0.069 -0.384 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.389 -1.388 0.367 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.694 -1.779 1.765 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.232 -1.729 2.002 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.556 -2.019 3.471 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.021 -2.564 1.044 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.875 -4.002 1.283 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.643 -2.160 -0.345 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.414 -2.917 -1.430 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.112 -2.218 -0.626 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.030 -0.632 -1.100 0.00 0.00 +0.121 A ATOM 18 C LIG 1 5.563 -1.428 -0.057 0.00 0.00 +0.046 A ATOM 19 C LIG 1 4.191 -1.567 0.181 0.00 0.00 +0.012 A ATOM 20 C LIG 1 3.244 -0.917 -0.623 0.00 0.00 -0.015 A ATOM 21 C LIG 1 3.731 -0.118 -1.669 0.00 0.00 +0.012 A ATOM 22 C LIG 1 5.106 0.025 -1.906 0.00 0.00 +0.046 A BRANCH 17 23 ATOM 23 O LIG 1 7.390 -0.589 -1.212 0.00 0.00 -0.490 OA BRANCH 23 24 ATOM 24 C LIG 1 7.981 0.234 -2.223 0.00 0.00 +0.257 C BRANCH 24 25 ATOM 25 C LIG 1 8.119 1.685 -1.760 0.00 0.00 +0.200 C BRANCH 25 27 ATOM 26 C LIG 1 9.281 3.096 -0.266 0.00 0.00 +0.194 C ATOM 27 O LIG 1 9.161 1.779 -0.783 0.00 0.00 -0.380 OA ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -1.332 1.019 -0.136 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.275 0.709 0.096 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.100 2.335 -0.442 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.059 2.839 -0.841 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.327 3.172 -0.305 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.985 3.454 0.965 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.088 4.230 0.975 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.638 4.785 -0.284 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.648 5.476 -0.286 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.944 4.470 -1.423 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.314 4.857 -2.286 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.814 3.689 -1.443 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.400 2.898 2.227 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.070 3.119 2.332 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.600 1.560 2.312 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.970 3.435 3.340 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 9