REMARK Name = BDB025668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.626 -1.232 0.499 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.658 -0.202 0.467 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.698 -0.497 0.638 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.133 -1.822 0.840 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.154 -2.827 0.870 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.505 -4.111 1.049 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.202 -2.547 0.704 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.876 -2.480 2.291 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.012 -2.224 1.049 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.839 -1.715 -0.077 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.702 -2.755 -0.642 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.016 -1.084 -1.145 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.346 0.414 -1.170 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.487 -1.318 -1.013 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.986 -0.885 0.310 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.871 -1.241 1.447 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.567 -2.122 1.013 0.00 0.00 -0.015 A ATOM 18 C LIG 1 3.530 -1.584 0.138 0.00 0.00 +0.013 A ATOM 19 C LIG 1 4.902 -1.841 0.301 0.00 0.00 -0.033 A ATOM 20 C LIG 1 5.317 -2.656 1.362 0.00 0.00 +0.005 A ATOM 21 C LIG 1 4.382 -3.204 2.236 0.00 0.00 +0.001 A ATOM 22 C LIG 1 3.021 -2.938 2.062 0.00 0.00 +0.008 A BRANCH 19 23 ATOM 23 C LIG 1 5.917 -1.242 -0.649 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 N LIG 1 6.818 -0.278 0.001 0.00 0.00 -0.294 NA ATOM 25 C LIG 1 7.917 0.134 -0.898 0.00 0.00 +0.113 C ATOM 26 C LIG 1 7.689 1.502 -1.560 0.00 0.00 +0.175 C ATOM 27 O LIG 1 7.544 2.567 -0.611 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 6.995 2.132 0.642 0.00 0.00 +0.175 C ATOM 29 C LIG 1 6.080 0.907 0.497 0.00 0.00 +0.113 C ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.166 1.098 0.262 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.182 1.094 0.174 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.477 2.280 0.189 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.728 2.458 0.298 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.382 3.445 -0.014 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.032 3.750 -1.283 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -2.834 4.830 -1.367 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.057 5.702 -0.186 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.794 6.677 -0.248 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.388 5.340 0.957 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.526 5.944 1.760 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.565 4.245 1.049 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.761 2.869 -2.462 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.293 1.632 -2.290 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.307 3.358 -3.607 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -0.439 2.710 -2.704 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7