REMARK Name = BDB025760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.641 0.716 0.151 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.771 0.849 0.149 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.371 2.096 -0.067 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.596 3.253 -0.266 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.798 3.104 -0.244 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -1.597 4.169 -0.419 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.410 1.866 -0.042 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.983 -2.298 2.290 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.963 -2.120 1.158 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.420 -2.519 -0.197 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.848 -2.707 -0.391 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.740 -1.795 -1.301 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.532 -0.616 -1.895 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.293 -1.350 -0.941 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.208 -0.564 0.317 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.371 -0.682 1.218 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.237 4.565 -0.486 0.00 0.00 -0.015 A ATOM 18 C LIG 1 2.285 5.008 0.341 0.00 0.00 +0.008 A ATOM 19 C LIG 1 2.900 6.246 0.131 0.00 0.00 +0.001 A ATOM 20 C LIG 1 2.479 7.066 -0.912 0.00 0.00 +0.000 A ATOM 21 C LIG 1 1.444 6.649 -1.744 0.00 0.00 +0.001 A ATOM 22 C LIG 1 0.831 5.410 -1.532 0.00 0.00 +0.008 A ENDBRANCH 4 17 BRANCH 2 23 ATOM 23 N LIG 1 1.498 -0.333 0.404 0.00 0.00 -0.280 N ATOM 24 H LIG 1 0.886 -1.128 0.573 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 2.856 -0.494 0.509 0.00 0.00 +0.250 C ATOM 26 O LIG 1 3.729 0.356 0.412 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 3.228 -1.903 0.812 0.00 0.00 +0.065 A ATOM 28 C LIG 1 3.277 -2.953 -0.199 0.00 0.00 +0.073 A ATOM 29 C LIG 1 3.625 -4.202 0.170 0.00 0.00 +0.083 A ATOM 30 C LIG 1 3.955 -4.510 1.584 0.00 0.00 +0.249 A ATOM 31 O LIG 1 4.261 -5.643 1.931 0.00 0.00 -0.268 OA ATOM 32 N LIG 1 3.893 -3.450 2.455 0.00 0.00 -0.328 N ATOM 33 H LIG 1 4.134 -3.657 3.419 0.00 0.00 +0.168 HD ATOM 34 C LIG 1 3.544 -2.174 2.087 0.00 0.00 +0.099 A BRANCH 28 35 ATOM 35 C LIG 1 2.962 -2.598 -1.618 0.00 0.00 +0.418 C ATOM 36 F LIG 1 1.664 -2.225 -1.762 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.728 -1.586 -2.087 0.00 0.00 -0.166 F ATOM 38 F LIG 1 3.148 -3.647 -2.463 0.00 0.00 -0.166 F ENDBRANCH 28 35 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 5