REMARK Name = BDB059965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.592 0.985 0.550 0.00 0.00 +0.220 C ATOM 2 N LIG 1 1.500 0.145 0.337 0.00 0.00 -0.292 N ATOM 3 C LIG 1 0.247 0.774 -0.147 0.00 0.00 +0.124 C ATOM 4 C LIG 1 -0.568 -0.262 -0.905 0.00 0.00 -0.019 A ATOM 5 C LIG 1 -0.733 -1.541 -0.345 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.628 -2.443 -0.930 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -2.240 -2.127 -2.144 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -2.019 -0.884 -2.738 0.00 0.00 +0.004 A ATOM 9 C LIG 1 0.019 -1.848 0.921 0.00 0.00 +0.058 C ATOM 10 C LIG 1 -1.200 0.054 -2.114 0.00 0.00 +0.006 A ATOM 11 C LIG 1 1.421 -1.224 0.885 0.00 0.00 +0.113 C ATOM 12 O LIG 1 2.487 2.206 0.470 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.522 -0.275 -0.542 0.00 0.00 +0.109 C ATOM 14 C LIG 1 3.950 0.311 0.772 0.00 0.00 +0.089 C ATOM 15 C LIG 1 4.927 1.254 1.507 0.00 0.00 +0.013 C ATOM 16 C LIG 1 5.912 1.935 0.569 0.00 0.00 +0.001 C ATOM 17 C LIG 1 6.774 0.917 -0.171 0.00 0.00 +0.001 C ATOM 18 C LIG 1 6.053 -0.402 -0.470 0.00 0.00 +0.015 C BRANCH 13 20 ATOM 19 O LIG 1 4.817 1.219 -2.453 0.00 0.00 -0.251 OA ATOM 20 C LIG 1 4.109 0.444 -1.829 0.00 0.00 +0.309 C BRANCH 20 21 ATOM 21 O LIG 1 2.879 0.103 -2.277 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 2.360 -0.472 -1.683 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 C LIG 1 -0.533 1.464 1.014 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 N LIG 1 -1.945 1.686 0.750 0.00 0.00 -0.232 N ATOM 25 C LIG 1 -2.417 2.651 -0.096 0.00 0.00 +0.254 C ATOM 26 O LIG 1 -1.799 3.488 -0.725 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -3.865 2.465 -0.173 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -4.185 1.357 0.591 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -5.482 0.899 0.712 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.474 1.609 0.028 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.149 2.739 -0.752 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.825 3.179 -0.862 0.00 0.00 +0.014 A ATOM 33 C LIG 1 -2.941 0.837 1.154 0.00 0.00 +0.254 C ATOM 34 O LIG 1 -2.868 -0.184 1.814 0.00 0.00 -0.270 OA ENDBRANCH 23 24 ENDBRANCH 3 23 BRANCH 6 35 ATOM 35 O LIG 1 -1.839 -3.614 -0.259 0.00 0.00 -0.489 OA BRANCH 35 36 ATOM 36 C LIG 1 -3.194 -4.083 -0.204 0.00 0.00 +0.256 C BRANCH 36 37 ATOM 37 C LIG 1 -4.168 -3.112 0.472 0.00 0.00 +0.196 C BRANCH 37 38 ATOM 38 O LIG 1 -3.798 -2.855 1.823 0.00 0.00 -0.392 OA ATOM 39 H LIG 1 -3.239 -2.047 1.819 0.00 0.00 +0.210 HD ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9