REMARK Name = BDB046159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.206 2.125 -0.141 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -4.514 1.621 -0.166 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -4.855 0.282 -0.144 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -6.283 0.279 -0.188 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -6.756 1.536 -0.210 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -3.822 -0.666 -0.068 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.493 -0.215 -0.038 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -5.652 2.365 -0.207 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -2.183 1.151 -0.083 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -7.193 -0.865 -0.197 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -6.916 -2.001 -0.971 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -7.791 -3.090 -0.968 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -8.951 -3.053 -0.195 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -9.242 -1.925 0.570 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.369 -0.835 0.567 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -2.913 3.604 -0.154 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -3.734 4.166 2.197 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -2.563 4.176 1.224 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -0.908 1.657 -0.051 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 0.205 0.778 -0.208 0.00 0.00 +0.229 C BRANCH 20 21 ATOM 21 C LIG 1 0.705 0.309 1.158 0.00 0.00 +0.044 C BRANCH 21 22 ATOM 22 C LIG 1 1.864 -0.680 1.074 0.00 0.00 +0.044 C BRANCH 22 23 ATOM 23 C LIG 1 3.148 -0.074 0.510 0.00 0.00 +0.229 C BRANCH 23 24 ATOM 24 O LIG 1 4.154 -1.086 0.548 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 5.396 -0.750 0.085 0.00 0.00 +0.124 A ATOM 26 C LIG 1 6.337 -1.783 0.128 0.00 0.00 +0.091 A ATOM 27 C LIG 1 7.650 -1.591 -0.313 0.00 0.00 +0.125 A ATOM 28 C LIG 1 8.024 -0.340 -0.801 0.00 0.00 +0.046 A ATOM 29 C LIG 1 7.089 0.698 -0.848 0.00 0.00 +0.007 A ATOM 30 C LIG 1 5.779 0.496 -0.407 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 O LIG 1 8.450 -2.694 -0.208 0.00 0.00 -0.481 OA BRANCH 31 32 ATOM 32 C LIG 1 9.786 -2.601 -0.673 0.00 0.00 +0.349 C BRANCH 32 33 ATOM 33 C LIG 1 9.948 -2.603 -2.184 0.00 0.00 +0.343 C ATOM 34 O LIG 1 10.639 -1.830 -2.829 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 9.267 -3.590 -2.800 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 9.447 -3.457 -3.754 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 14