REMARK Name = BDB010767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.534 -0.358 -0.636 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.226 -0.849 -0.605 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.220 -1.650 -1.645 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.469 -2.132 -1.412 0.00 0.00 -0.213 NA ATOM 5 C LIG 1 -1.796 -1.706 -0.209 0.00 0.00 +0.113 A ATOM 6 N LIG 1 0.496 -1.964 -2.735 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.727 -1.444 -2.689 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.863 -0.783 0.248 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.269 -0.688 -1.718 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.584 -1.752 -3.856 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.096 -2.525 -4.841 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.181 -2.943 -4.888 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.063 -2.643 -5.759 0.00 0.00 +0.440 A ATOM 14 O LIG 1 2.991 -3.273 -6.801 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.157 -1.930 -5.332 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.798 -1.356 -4.069 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.109 0.397 0.378 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.458 1.000 0.852 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.518 0.004 0.500 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.424 1.008 0.134 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 3.522 2.319 0.943 0.00 0.00 +0.009 C ATOM 22 C LIG 1 3.571 2.275 2.494 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.078 2.580 2.421 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.867 3.090 0.984 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -3.010 -2.187 0.533 0.00 0.00 +0.080 C BRANCH 25 26 ATOM 26 C LIG 1 -2.877 -3.616 1.130 0.00 0.00 -0.031 C ATOM 27 C LIG 1 -1.724 -3.694 2.145 0.00 0.00 +0.011 C ATOM 28 C LIG 1 -4.193 -3.945 1.866 0.00 0.00 +0.011 C ATOM 29 C LIG 1 -2.664 -4.677 0.036 0.00 0.00 +0.011 C ENDBRANCH 25 26 ENDBRANCH 5 25 BRANCH 8 30 ATOM 30 C LIG 1 -0.979 0.016 1.454 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 -1.572 1.443 1.303 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.047 1.482 0.850 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -3.203 1.838 -0.625 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -2.617 3.224 -0.951 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -3.701 4.303 -0.960 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -1.482 3.622 0.009 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.697 2.397 0.469 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 8