REMARK Name = BDB024583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.114 -0.346 -0.249 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.199 0.502 0.400 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.685 1.784 0.952 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.649 2.889 -0.112 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.952 2.169 2.232 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.467 2.290 1.980 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.937 1.084 1.257 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.550 0.809 1.315 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.566 1.510 1.966 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.566 0.878 1.719 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.338 -0.243 0.940 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.013 -0.286 0.654 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.810 -1.144 -0.099 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.183 -0.861 -0.165 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.777 0.229 0.494 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.897 -1.471 -0.683 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.352 -1.179 0.464 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.133 -2.627 0.949 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.734 -3.669 0.000 0.00 0.00 +0.011 C ATOM 20 C LIG 1 -3.031 -3.140 -0.626 0.00 0.00 -0.004 C ATOM 21 C LIG 1 -4.241 -3.035 0.351 0.00 0.00 +0.089 C ATOM 22 N LIG 1 -4.674 -4.379 -0.076 0.00 0.00 -0.315 NA ATOM 23 H LIG 1 -4.323 -5.128 0.522 0.00 0.00 +0.122 HD ATOM 24 C LIG 1 -3.898 -4.224 -1.323 0.00 0.00 +0.089 C ATOM 25 C LIG 1 -2.785 -1.905 -1.506 0.00 0.00 +0.011 C ATOM 26 C LIG 1 -1.563 -1.101 -1.053 0.00 0.00 +0.026 C ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.333 -0.598 -1.005 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.358 0.220 -0.355 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.908 1.332 2.219 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -2.852 1.798 1.130 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -4.171 1.322 1.083 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -5.048 1.738 0.075 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -4.623 2.648 -0.893 0.00 0.00 +0.120 A ATOM 34 C LIG 1 -3.319 3.143 -0.836 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -2.441 2.729 0.168 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 O LIG 1 -5.374 3.130 -1.929 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 -6.712 2.660 -2.028 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 5