REMARK Name = BDB062529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.383 1.351 -0.094 0.00 0.00 +0.070 A ATOM 2 C LIG 1 -1.290 0.344 -0.464 0.00 0.00 +0.152 A ATOM 3 F LIG 1 -0.795 -0.885 -0.699 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -2.661 0.596 -0.596 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -3.118 1.898 -0.347 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -2.232 2.924 0.033 0.00 0.00 -0.017 A ATOM 7 C LIG 1 -0.863 2.636 0.156 0.00 0.00 +0.032 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -3.608 -0.436 -0.987 0.00 0.00 +0.022 A ATOM 9 C LIG 1 -3.482 -1.785 -0.726 0.00 0.00 +0.117 A ATOM 10 N LIG 1 -4.593 -2.378 -1.248 0.00 0.00 -0.268 N ATOM 11 N LIG 1 -5.440 -1.526 -1.838 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -4.845 -0.342 -1.674 0.00 0.00 +0.143 A BRANCH 10 13 ATOM 13 C LIG 1 -4.840 -3.834 -1.208 0.00 0.00 +0.107 C ATOM 14 C LIG 1 -6.168 -4.407 -0.769 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -4.954 -4.600 0.090 0.00 0.00 +0.029 C ENDBRANCH 10 13 ENDBRANCH 4 8 BRANCH 1 17 ATOM 16 C LIG 1 2.060 1.777 0.296 0.00 0.00 +0.250 C ATOM 17 N LIG 1 0.976 0.977 0.003 0.00 0.00 -0.279 N ATOM 18 H LIG 1 1.176 0.016 -0.253 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 2.030 2.990 0.467 0.00 0.00 -0.270 OA BRANCH 16 26 ATOM 20 C LIG 1 5.564 0.597 0.097 0.00 0.00 +0.090 A ATOM 21 N LIG 1 4.933 -0.530 0.601 0.00 0.00 -0.312 N ATOM 22 C LIG 1 3.585 -0.221 0.835 0.00 0.00 +0.062 A ATOM 23 C LIG 1 2.789 -1.216 1.492 0.00 0.00 +0.072 A ATOM 24 C LIG 1 3.315 -2.427 1.755 0.00 0.00 +0.120 A ATOM 25 C LIG 1 4.675 -2.757 1.395 0.00 0.00 +0.063 A ATOM 26 C LIG 1 3.329 1.048 0.337 0.00 0.00 +0.063 A ATOM 27 C LIG 1 5.450 -1.809 0.844 0.00 0.00 +0.095 A ATOM 28 C LIG 1 4.580 1.553 -0.108 0.00 0.00 +0.044 A BRANCH 20 30 ATOM 29 C LIG 1 8.001 0.159 0.711 0.00 0.00 +0.093 C ATOM 30 C LIG 1 6.974 0.784 -0.200 0.00 0.00 +0.177 C ATOM 31 O LIG 1 7.353 1.467 -1.152 0.00 0.00 -0.291 OA ENDBRANCH 20 30 BRANCH 24 32 ATOM 32 O LIG 1 2.638 -3.440 2.382 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 1.746 -3.126 2.610 0.00 0.00 +0.292 HD ENDBRANCH 24 32 ENDBRANCH 16 26 ENDBRANCH 1 17 BRANCH 6 34 ATOM 34 C LIG 1 -2.737 4.329 0.289 0.00 0.00 +0.142 C ATOM 35 C LIG 1 -3.125 5.045 -0.997 0.00 0.00 +0.043 C BRANCH 34 36 ATOM 36 O LIG 1 -3.874 4.279 1.148 0.00 0.00 -0.387 OA ATOM 37 H LIG 1 -3.643 3.697 1.892 0.00 0.00 +0.210 HD ENDBRANCH 34 36 ENDBRANCH 6 34 TORSDOF 8