REMARK Name = BDB048629 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.405 -1.836 -0.492 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -1.571 -1.187 -0.059 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -2.775 -1.893 0.103 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -2.800 -3.266 -0.177 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.645 -3.920 -0.607 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.455 -3.210 -0.763 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.881 -1.067 -0.685 0.00 0.00 +0.264 C BRANCH 7 8 ATOM 8 O LIG 1 1.879 -1.626 0.168 0.00 0.00 -0.487 OA BRANCH 8 13 ATOM 9 N LIG 1 7.079 0.148 0.465 0.00 0.00 -0.336 N ATOM 10 C LIG 1 5.747 -0.117 0.209 0.00 0.00 +0.050 A ATOM 11 C LIG 1 5.376 -1.169 1.049 0.00 0.00 +0.003 A ATOM 12 C LIG 1 4.051 -1.647 0.998 0.00 0.00 +0.055 A ATOM 13 C LIG 1 3.128 -1.068 0.117 0.00 0.00 +0.122 A ATOM 14 C LIG 1 3.524 -0.018 -0.709 0.00 0.00 +0.048 A ATOM 15 C LIG 1 6.520 -1.529 1.811 0.00 0.00 +0.028 A ATOM 16 C LIG 1 4.836 0.475 -0.678 0.00 0.00 +0.030 A ATOM 17 C LIG 1 7.555 -0.708 1.427 0.00 0.00 +0.087 A BRANCH 9 18 ATOM 18 C LIG 1 7.891 1.136 -0.228 0.00 0.00 +0.242 C BRANCH 18 20 ATOM 19 O LIG 1 7.167 2.880 1.346 0.00 0.00 -0.249 OA ATOM 20 C LIG 1 7.709 2.528 0.313 0.00 0.00 +0.325 C BRANCH 20 21 ATOM 21 O LIG 1 8.273 3.457 -0.493 0.00 0.00 -0.479 OA ATOM 22 H LIG 1 8.102 4.304 -0.028 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 9 18 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -4.013 -1.180 0.589 0.00 0.00 +0.264 C BRANCH 23 24 ATOM 24 O LIG 1 -4.353 -0.164 -0.355 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 -5.444 0.609 -0.075 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -6.249 0.518 1.060 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -7.341 1.380 1.220 0.00 0.00 +0.016 A ATOM 28 C LIG 1 -7.647 2.340 0.244 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -6.828 2.431 -0.889 0.00 0.00 +0.016 A ATOM 30 C LIG 1 -5.740 1.570 -1.045 0.00 0.00 +0.046 A BRANCH 28 31 ATOM 31 C LIG 1 -8.812 3.282 0.430 0.00 0.00 +0.417 C ATOM 32 F LIG 1 -8.461 4.411 1.105 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -9.355 3.702 -0.746 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -9.838 2.728 1.135 0.00 0.00 -0.166 F ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10