REMARK Name = BDB042050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.299 0.001 2.637 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.963 -0.200 2.076 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.141 -0.659 0.692 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -2.567 -0.394 0.171 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -3.586 -0.966 1.070 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -3.431 -0.388 2.419 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -2.021 -0.634 2.989 0.00 0.00 +0.123 C ATOM 8 O LIG 1 0.549 -0.161 3.829 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 9 N LIG 1 5.654 0.662 -0.051 0.00 0.00 -0.282 N ATOM 10 C LIG 1 4.735 1.591 -0.516 0.00 0.00 +0.248 C ATOM 11 O LIG 1 4.883 2.443 -1.370 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.482 1.349 0.209 0.00 0.00 +0.042 A ATOM 13 C LIG 1 3.661 0.228 1.019 0.00 0.00 -0.017 A ATOM 14 C LIG 1 2.626 -0.231 1.814 0.00 0.00 +0.019 A ATOM 15 C LIG 1 1.405 0.459 1.764 0.00 0.00 +0.037 A ATOM 16 C LIG 1 1.244 1.608 0.958 0.00 0.00 +0.014 A ATOM 17 C LIG 1 2.295 2.058 0.156 0.00 0.00 +0.014 A ATOM 18 C LIG 1 5.042 -0.309 0.846 0.00 0.00 +0.144 C BRANCH 9 25 ATOM 19 O LIG 1 9.845 0.455 -3.620 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 8.964 0.506 -2.766 0.00 0.00 +0.219 C ATOM 21 N LIG 1 7.804 -0.213 -2.906 0.00 0.00 -0.255 N ATOM 22 H LIG 1 7.713 -0.746 -3.759 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 6.788 -0.366 -1.990 0.00 0.00 +0.240 C ATOM 24 O LIG 1 5.874 -1.162 -2.203 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 6.949 0.407 -0.671 0.00 0.00 +0.163 C ATOM 26 C LIG 1 7.789 1.666 -0.886 0.00 0.00 +0.041 C ATOM 27 C LIG 1 9.134 1.278 -1.479 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -4.983 -0.900 0.569 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.308 -1.993 -0.469 0.00 0.00 -0.023 A ATOM 30 C LIG 1 -6.513 -1.965 -1.189 0.00 0.00 +0.025 A ATOM 31 C LIG 1 -6.797 -2.988 -2.082 0.00 0.00 +0.111 A ATOM 32 N LIG 1 -5.987 -4.044 -2.296 0.00 0.00 -0.263 NA ATOM 33 C LIG 1 -4.850 -4.084 -1.573 0.00 0.00 +0.111 A ATOM 34 C LIG 1 -4.479 -3.108 -0.659 0.00 0.00 +0.025 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.448 0.510 0.179 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -6.163 1.291 1.105 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.593 2.578 0.776 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.317 3.105 -0.483 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.611 2.348 -1.415 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.179 1.062 -1.087 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 5 28 TORSDOF 5