REMARK Name = BDB027047 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.047 0.202 0.550 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -0.620 0.607 1.638 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.063 0.062 -1.165 0.00 0.00 +0.123 A ATOM 4 C LIG 1 3.147 -0.439 -2.099 0.00 0.00 +0.071 A ATOM 5 C LIG 1 1.787 -0.449 -1.764 0.00 0.00 +0.051 A ATOM 6 C LIG 1 1.308 0.014 -0.539 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.121 -0.146 -0.539 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.448 -0.700 -1.766 0.00 0.00 +0.095 A ATOM 9 C LIG 1 2.247 0.510 0.389 0.00 0.00 +0.014 A ATOM 10 N LIG 1 0.703 -0.878 -2.488 0.00 0.00 -0.360 N ATOM 11 H LIG 1 0.757 -1.270 -3.418 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.614 0.529 0.067 0.00 0.00 +0.046 A BRANCH 3 13 ATOM 13 O LIG 1 5.363 0.022 -1.592 0.00 0.00 -0.489 OA BRANCH 13 18 ATOM 14 C LIG 1 10.104 1.345 1.050 0.00 0.00 +0.104 C ATOM 15 N LIG 1 8.797 1.171 0.420 0.00 0.00 -0.305 NA ATOM 16 C LIG 1 8.019 0.128 1.105 0.00 0.00 +0.087 C ATOM 17 C LIG 1 6.890 -0.451 0.246 0.00 0.00 +0.060 C ATOM 18 C LIG 1 6.391 0.580 -0.764 0.00 0.00 +0.176 C ATOM 19 C LIG 1 7.548 0.992 -1.690 0.00 0.00 +0.060 C ATOM 20 C LIG 1 8.918 0.903 -1.012 0.00 0.00 +0.087 C ENDBRANCH 13 18 ENDBRANCH 3 13 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 C LIG 1 -2.580 0.016 0.328 0.00 0.00 +0.156 C BRANCH 21 22 ATOM 22 C LIG 1 -2.993 -1.414 0.649 0.00 0.00 -0.023 A ATOM 23 C LIG 1 -3.670 -2.185 -0.311 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -4.064 -3.493 -0.025 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.787 -4.049 1.222 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.119 -3.297 2.185 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.725 -1.988 1.903 0.00 0.00 +0.005 A ENDBRANCH 21 22 BRANCH 21 28 ATOM 28 N LIG 1 -3.299 1.036 1.137 0.00 0.00 -0.303 NA ATOM 29 H LIG 1 -2.953 0.965 2.098 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.759 0.954 1.124 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -5.386 1.240 -0.248 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -6.896 1.193 -0.193 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -7.566 -0.039 -0.208 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -8.960 -0.086 -0.144 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -9.699 1.098 -0.061 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -9.036 2.329 -0.040 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.641 2.375 -0.104 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -11.130 1.049 0.004 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -12.289 1.008 0.055 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 28 ENDBRANCH 1 21 TORSDOF 10