REMARK Name = BDB026051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.081 -0.882 -0.544 0.00 0.00 +0.022 A ATOM 2 C LIG 1 -0.531 -2.063 -0.995 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.219 -3.098 -1.405 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.916 -2.211 -1.047 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.748 -1.163 -0.648 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -2.159 0.040 -0.197 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.766 0.168 -0.141 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -4.162 -1.258 -0.667 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.663 -2.187 0.379 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -6.201 -2.355 0.240 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -6.730 -3.231 1.376 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -6.611 -2.952 -1.062 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -7.879 -2.383 -1.521 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.557 -2.803 -2.089 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.738 -1.496 -2.015 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.298 -0.456 -0.390 0.00 0.00 +0.218 A ATOM 17 N LIG 1 3.750 -1.624 -0.021 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 2.403 -1.737 -0.080 0.00 0.00 +0.124 A ATOM 19 C LIG 1 1.544 -0.738 -0.493 0.00 0.00 +0.021 A ATOM 20 C LIG 1 2.212 0.416 -0.853 0.00 0.00 +0.124 A ATOM 21 N LIG 1 3.554 0.577 -0.814 0.00 0.00 -0.222 NA BRANCH 16 25 ATOM 22 N LIG 1 8.451 0.113 0.600 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 7.402 1.151 0.648 0.00 0.00 +0.103 C ATOM 24 C LIG 1 6.257 1.014 -0.387 0.00 0.00 +0.123 C ATOM 25 N LIG 1 5.668 -0.325 -0.359 0.00 0.00 -0.297 N ATOM 26 C LIG 1 6.452 -1.401 0.242 0.00 0.00 +0.123 C ATOM 27 C LIG 1 7.958 -1.148 0.008 0.00 0.00 +0.103 C BRANCH 22 29 ATOM 28 C LIG 1 9.694 1.199 -1.326 0.00 0.00 +0.024 C ATOM 29 C LIG 1 9.752 0.526 0.050 0.00 0.00 +0.051 C ATOM 30 C LIG 1 10.484 1.428 1.051 0.00 0.00 +0.024 C ENDBRANCH 22 29 ENDBRANCH 16 25 ENDBRANCH 1 19 BRANCH 6 31 ATOM 31 N LIG 1 -3.064 1.058 0.175 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -4.032 0.758 0.061 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.775 2.347 0.550 0.00 0.00 +0.249 C ATOM 34 O LIG 1 -1.674 2.878 0.616 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.963 3.187 0.838 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.901 2.868 1.836 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -6.001 3.726 2.017 0.00 0.00 +0.051 A ATOM 38 C LIG 1 -6.135 4.875 1.243 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -7.189 5.678 1.436 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -5.192 5.204 0.279 0.00 0.00 +0.039 A ATOM 41 C LIG 1 -4.100 4.361 0.077 0.00 0.00 +0.016 A BRANCH 36 42 ATOM 42 C LIG 1 -4.761 1.646 2.701 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.498 1.427 3.149 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -5.542 1.694 3.818 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -5.142 0.516 2.044 0.00 0.00 -0.166 F ENDBRANCH 36 42 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 7