REMARK Name = BDB010434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.889 -0.917 -0.020 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.605 -0.431 -0.272 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.306 -1.383 0.156 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.487 -2.398 0.658 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.024 -3.550 1.165 0.00 0.00 -0.210 NA ATOM 6 C LIG 1 -1.305 -3.649 1.121 0.00 0.00 +0.147 A ATOM 7 N LIG 1 -2.157 -2.709 0.649 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -1.694 -1.533 0.173 0.00 0.00 +0.148 A ATOM 9 N LIG 1 1.809 -2.096 0.578 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.589 -0.182 -0.134 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.366 -0.788 0.182 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.179 -0.273 -0.339 0.00 0.00 +0.106 A ATOM 13 N LIG 1 3.158 0.803 -1.157 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.345 1.377 -1.455 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.565 0.931 -0.976 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.592 0.281 1.322 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.880 -0.741 0.432 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.810 -1.237 -0.678 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 8 19 ATOM 19 N LIG 1 -2.578 -0.559 -0.264 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -2.240 0.367 -0.047 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -4.029 -0.665 -0.075 0.00 0.00 +0.072 C ATOM 22 C LIG 1 -4.416 -0.659 1.402 0.00 0.00 +0.028 C BRANCH 21 23 ATOM 23 C LIG 1 -4.667 -1.840 -0.815 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -6.189 -1.724 -1.118 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.902 -2.433 -2.457 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -4.465 -1.885 -2.356 0.00 0.00 +0.005 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 8 19 BRANCH 2 27 ATOM 27 C LIG 1 0.286 0.819 -0.943 0.00 0.00 +0.127 C BRANCH 27 28 ATOM 28 C LIG 1 0.478 2.085 -0.078 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -0.518 2.198 1.095 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -1.728 3.063 0.749 0.00 0.00 +0.003 C ATOM 31 C LIG 1 -1.325 4.505 0.391 0.00 0.00 -0.014 C ATOM 32 C LIG 1 -1.444 5.436 1.599 0.00 0.00 +0.007 C ATOM 33 C LIG 1 0.091 4.589 -0.205 0.00 0.00 +0.003 C ATOM 34 C LIG 1 0.437 3.329 -0.989 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 2 27 BRANCH 6 35 ATOM 35 C LIG 1 -1.929 -4.938 1.630 0.00 0.00 +0.155 C BRANCH 35 36 ATOM 36 N LIG 1 -2.862 -5.564 0.672 0.00 0.00 -0.324 NA ATOM 37 H LIG 1 -3.521 -4.832 0.395 0.00 0.00 +0.119 HD ATOM 38 H LIG 1 -2.336 -5.768 -0.178 0.00 0.00 +0.119 HD ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9