REMARK Name = BDB004781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.016 -0.784 2.393 0.00 0.00 -0.026 A ATOM 2 C LIG 1 0.007 -0.815 1.408 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.306 -0.440 1.704 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.614 -0.029 3.006 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.626 0.018 3.990 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.682 -0.353 3.684 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.361 -0.446 0.766 0.00 0.00 -0.280 N ATOM 8 H LIG 1 -3.260 -0.161 1.125 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.306 -0.777 -0.574 0.00 0.00 +0.266 C ATOM 10 O LIG 1 -1.297 -1.118 -1.182 0.00 0.00 -0.268 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.574 -0.688 -1.262 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -3.675 -0.977 -2.595 0.00 0.00 -0.272 N ATOM 13 H LIG 1 -2.922 -1.268 -3.212 0.00 0.00 +0.189 HD ATOM 14 N LIG 1 -4.912 -0.849 -3.095 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 -5.657 -0.464 -2.050 0.00 0.00 +0.069 A ATOM 16 C LIG 1 -4.859 -0.350 -0.879 0.00 0.00 +0.058 A BRANCH 15 17 ATOM 17 C LIG 1 -7.147 -0.215 -2.228 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -7.377 0.902 -3.267 0.00 0.00 +0.017 C ATOM 19 C LIG 1 -7.818 0.220 -0.908 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -7.846 -1.502 -2.712 0.00 0.00 +0.017 C ENDBRANCH 15 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 2.533 -2.578 1.459 0.00 0.00 +0.033 C ATOM 22 C LIG 1 2.457 -1.176 2.075 0.00 0.00 +0.099 C BRANCH 22 23 ATOM 23 N LIG 1 3.000 -0.161 1.170 0.00 0.00 -0.322 N ATOM 24 H LIG 1 2.592 -0.236 0.243 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 4.396 -0.035 1.077 0.00 0.00 +0.130 A ATOM 26 C LIG 1 4.949 0.941 0.219 0.00 0.00 +0.041 A ATOM 27 C LIG 1 6.356 1.011 0.164 0.00 0.00 +0.088 A ATOM 28 C LIG 1 6.928 1.968 -0.702 0.00 0.00 +0.063 A ATOM 29 C LIG 1 6.125 2.833 -1.472 0.00 0.00 +0.015 A ATOM 30 C LIG 1 4.744 2.768 -1.396 0.00 0.00 +0.002 A ATOM 31 N LIG 1 7.110 0.186 0.923 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 6.480 -0.677 1.728 0.00 0.00 +0.223 A ATOM 33 C LIG 1 4.161 1.831 -0.555 0.00 0.00 +0.013 A ATOM 34 N LIG 1 5.162 -0.823 1.845 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 8.405 2.145 -0.868 0.00 0.00 +0.244 C ATOM 36 O LIG 1 8.870 2.999 -1.617 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 9.242 1.331 -0.166 0.00 0.00 -0.325 N ATOM 38 H LIG 1 8.873 0.636 0.478 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 10.239 1.455 -0.257 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 7