REMARK Name = BDB055470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.167 -2.089 0.623 0.00 0.00 +0.215 A ATOM 2 N LIG 1 -0.140 -1.276 0.373 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 -0.404 -0.054 -0.121 0.00 0.00 +0.127 A ATOM 4 C LIG 1 -1.709 0.346 -0.336 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -2.715 -0.560 -0.056 0.00 0.00 +0.078 A ATOM 6 N LIG 1 -2.446 -1.795 0.407 0.00 0.00 -0.215 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.147 -0.249 -0.255 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.994 -1.243 -0.819 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -6.336 -0.863 -0.987 0.00 0.00 +0.095 A ATOM 10 C LIG 1 -6.785 0.449 -0.590 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -8.125 0.514 -0.866 0.00 0.00 +0.119 A ATOM 12 N LIG 1 -8.414 -0.707 -1.419 0.00 0.00 -0.263 N ATOM 13 H LIG 1 -9.309 -1.023 -1.768 0.00 0.00 +0.190 HD ATOM 14 C LIG 1 -6.013 1.456 -0.025 0.00 0.00 +0.014 A ATOM 15 N LIG 1 -7.369 -1.556 -1.495 0.00 0.00 -0.172 NA ATOM 16 C LIG 1 -4.669 1.045 0.126 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 -9.065 1.470 -0.705 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -10.059 1.252 -0.727 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -8.861 2.274 -0.115 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 3 20 ATOM 20 N LIG 1 0.659 0.817 -0.369 0.00 0.00 -0.310 N ATOM 21 C LIG 1 1.997 0.316 -0.015 0.00 0.00 +0.147 C ATOM 22 C LIG 1 3.031 1.466 -0.062 0.00 0.00 +0.221 C ATOM 23 O LIG 1 2.905 2.350 -1.188 0.00 0.00 -0.364 OA ATOM 24 C LIG 1 2.012 1.855 -2.186 0.00 0.00 +0.180 C ATOM 25 C LIG 1 0.606 1.621 -1.607 0.00 0.00 +0.134 C BRANCH 22 26 ATOM 26 C LIG 1 4.432 0.827 0.009 0.00 0.00 +0.248 C ATOM 27 N LIG 1 4.799 0.487 1.306 0.00 0.00 -0.283 N ATOM 28 H LIG 1 4.157 0.737 2.048 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 5.100 0.634 -1.003 0.00 0.00 -0.273 OA BRANCH 27 30 ATOM 30 C LIG 1 5.989 -0.144 1.726 0.00 0.00 +0.033 A ATOM 31 C LIG 1 7.009 -0.549 0.863 0.00 0.00 +0.023 A ATOM 32 C LIG 1 8.157 -1.171 1.364 0.00 0.00 +0.002 A ATOM 33 C LIG 1 8.295 -1.396 2.732 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.285 -0.997 3.601 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.138 -0.374 3.100 0.00 0.00 +0.023 A ENDBRANCH 27 30 ENDBRANCH 22 26 ENDBRANCH 3 20 BRANCH 1 36 ATOM 36 N LIG 1 -0.879 -3.352 1.099 0.00 0.00 -0.327 N ATOM 37 H LIG 1 0.050 -3.622 0.811 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -1.637 -3.979 0.870 0.00 0.00 +0.145 HD ENDBRANCH 1 36 TORSDOF 6