REMARK Name = BDB011960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.616 -0.173 -1.228 0.00 0.00 +0.177 C ATOM 2 C LIG 1 1.218 -0.072 0.241 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.974 0.455 1.062 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.020 -0.621 0.575 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.717 -1.513 -0.311 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.064 -2.530 -1.054 0.00 0.00 +0.059 A ATOM 7 C LIG 1 -0.842 -3.422 -1.822 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -2.233 -3.309 -1.887 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -2.866 -2.284 -1.193 0.00 0.00 +0.021 A ATOM 10 N LIG 1 1.361 -2.713 -1.034 0.00 0.00 -0.268 N ATOM 11 C LIG 1 1.892 -4.008 -0.937 0.00 0.00 +0.217 C ATOM 12 O LIG 1 1.222 -5.008 -0.674 0.00 0.00 -0.276 OA ATOM 13 C LIG 1 3.384 -4.153 -1.130 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -2.113 -1.398 -0.419 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.206 -1.567 -1.397 0.00 0.00 +0.145 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 2.210 2.142 -1.861 0.00 0.00 +0.230 C ATOM 17 N LIG 1 2.604 0.860 -1.531 0.00 0.00 -0.301 N ATOM 18 H LIG 1 3.510 0.824 -1.070 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 1.050 2.430 -2.138 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 3.351 3.182 -1.758 0.00 0.00 +0.137 C ATOM 21 C LIG 1 3.037 4.454 -2.541 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 4.846 2.260 -3.488 0.00 0.00 +0.101 C ATOM 23 N LIG 1 4.671 2.575 -2.073 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 5.397 3.242 -1.805 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 8 25 ATOM 25 C LIG 1 -2.998 -4.230 -2.676 0.00 0.00 +0.099 C ATOM 26 N LIG 1 -3.622 -4.967 -3.320 0.00 0.00 -0.191 NA ENDBRANCH 8 25 BRANCH 4 27 ATOM 27 C LIG 1 -0.385 -0.637 2.010 0.00 0.00 +0.153 C BRANCH 27 28 ATOM 28 C LIG 1 -1.734 -0.035 2.391 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -2.002 1.366 2.232 0.00 0.00 -0.008 A ATOM 30 C LIG 1 -3.292 1.873 2.550 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.566 3.258 2.364 0.00 0.00 +0.059 A ATOM 32 C LIG 1 -2.582 4.130 1.883 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -1.318 3.647 1.590 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.260 0.976 3.046 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -3.986 -0.379 3.229 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -1.037 2.292 1.768 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -2.734 -0.893 2.908 0.00 0.00 +0.125 A BRANCH 31 38 ATOM 38 C LIG 1 -4.858 3.818 2.653 0.00 0.00 +0.100 C ATOM 39 N LIG 1 -5.902 4.277 2.878 0.00 0.00 -0.191 NA ENDBRANCH 31 38 BRANCH 37 40 ATOM 40 O LIG 1 -2.390 -2.211 3.063 0.00 0.00 -0.495 OA ATOM 41 C LIG 1 -3.407 -3.128 3.449 0.00 0.00 +0.277 C ENDBRANCH 37 40 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 8