REMARK Name = BDB011799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.993 0.867 1.225 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.080 0.796 -0.021 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.142 1.650 -0.915 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.921 -0.187 -0.026 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.600 -1.609 -0.092 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.723 -2.120 0.005 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.982 -3.494 -0.157 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.047 -4.388 -0.429 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.346 -3.916 -0.516 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.812 -1.312 0.412 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -2.930 -1.029 -0.372 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -3.763 -0.194 -0.006 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 1.614 -2.552 -0.344 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.545 -0.497 1.595 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -1.927 3.167 1.171 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.087 1.814 0.980 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -2.850 1.487 0.390 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -0.943 3.651 1.729 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -3.092 4.022 0.624 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -2.958 4.138 -0.893 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -3.580 5.384 2.575 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -3.067 5.382 1.210 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -2.085 5.673 1.238 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 2.206 0.288 -0.578 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 3.424 0.102 0.323 0.00 0.00 +0.020 A ATOM 26 C LIG 1 4.670 -0.393 -0.185 0.00 0.00 -0.010 A ATOM 27 C LIG 1 5.756 -0.577 0.719 0.00 0.00 -0.017 A ATOM 28 C LIG 1 6.986 -1.086 0.270 0.00 0.00 +0.023 A ATOM 29 C LIG 1 7.170 -1.423 -1.073 0.00 0.00 +0.059 A ATOM 30 C LIG 1 6.142 -1.216 -1.985 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.613 -0.245 2.070 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.423 0.290 2.546 0.00 0.00 +0.046 A ATOM 33 C LIG 1 4.913 -0.714 -1.545 0.00 0.00 +0.010 A ATOM 34 C LIG 1 3.356 0.493 1.675 0.00 0.00 +0.125 A BRANCH 29 35 ATOM 35 C LIG 1 8.457 -1.962 -1.564 0.00 0.00 +0.337 C ATOM 36 O LIG 1 8.959 -1.629 -2.623 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 8.985 -2.894 -0.742 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 8.396 -3.188 -0.023 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 29 35 BRANCH 34 39 ATOM 39 O LIG 1 2.206 1.045 2.179 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 2.378 2.448 2.408 0.00 0.00 +0.277 C ENDBRANCH 34 39 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 41 ATOM 41 C LIG 1 -3.054 -1.719 -1.729 0.00 0.00 +0.096 C BRANCH 41 42 ATOM 42 C LIG 1 -4.202 -1.185 -2.595 0.00 0.00 +0.010 C BRANCH 42 43 ATOM 43 C LIG 1 -5.515 -1.966 -2.457 0.00 0.00 +0.015 C BRANCH 43 44 ATOM 44 C LIG 1 -6.156 -1.880 -1.073 0.00 0.00 +0.077 C BRANCH 44 45 ATOM 45 N LIG 1 -7.430 -2.595 -1.049 0.00 0.00 -0.330 NA ATOM 46 H LIG 1 -8.077 -2.160 -1.707 0.00 0.00 +0.118 HD ATOM 47 H LIG 1 -7.297 -3.551 -1.375 0.00 0.00 +0.118 HD ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 11 41 TORSDOF 13