REMARK Name = BDB005120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.815 -1.051 0.810 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.596 -0.438 1.108 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.579 -1.140 1.778 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.792 -2.478 2.134 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.006 -3.095 1.847 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.013 -2.384 1.191 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.883 0.875 -0.372 0.00 0.00 +0.249 C ATOM 8 N LIG 1 -3.875 -0.408 0.137 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -4.699 -0.975 -0.024 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.985 1.704 -0.347 0.00 0.00 -0.270 OA BRANCH 7 12 ATOM 11 C LIG 1 -5.173 1.717 -2.348 0.00 0.00 +0.064 A ATOM 12 C LIG 1 -5.156 1.257 -1.025 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -6.344 1.185 -0.281 0.00 0.00 +0.014 A ATOM 14 C LIG 1 -7.554 1.562 -0.864 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.580 2.014 -2.183 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.397 2.092 -2.922 0.00 0.00 +0.019 A BRANCH 11 18 ATOM 17 N LIG 1 -3.067 1.798 -3.861 0.00 0.00 -0.191 NA ATOM 18 C LIG 1 -3.987 1.773 -3.154 0.00 0.00 +0.100 C ENDBRANCH 11 18 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 C LIG 1 0.749 -0.474 2.062 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 1.668 -0.800 0.980 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.267 -0.533 0.084 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 2.953 -0.228 1.094 0.00 0.00 +0.130 A ATOM 23 C LIG 1 3.907 -0.460 0.080 0.00 0.00 +0.041 A ATOM 24 C LIG 1 5.168 0.144 0.248 0.00 0.00 +0.088 A ATOM 25 C LIG 1 6.132 -0.066 -0.761 0.00 0.00 +0.063 A ATOM 26 C LIG 1 5.850 -0.859 -1.891 0.00 0.00 +0.015 A ATOM 27 C LIG 1 4.612 -1.460 -2.039 0.00 0.00 +0.002 A ATOM 28 N LIG 1 5.426 0.889 1.348 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 4.456 1.018 2.260 0.00 0.00 +0.223 A ATOM 30 C LIG 1 3.648 -1.264 -1.060 0.00 0.00 +0.013 A ATOM 31 N LIG 1 3.235 0.494 2.189 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 7.509 0.520 -0.715 0.00 0.00 +0.244 C ATOM 33 O LIG 1 8.345 0.267 -1.576 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 7.827 1.355 0.315 0.00 0.00 -0.325 N ATOM 35 H LIG 1 7.165 1.527 1.066 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 8.766 1.720 0.377 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 7