REMARK Name = BDB024163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.352 0.165 0.008 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.509 -0.922 1.061 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.365 -0.634 2.428 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.466 -1.648 3.381 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.709 -2.960 2.982 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.853 -3.262 1.629 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.753 -2.250 0.673 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.137 0.605 -0.221 0.00 0.00 +0.239 C ATOM 9 N LIG 1 -1.100 -0.343 0.078 0.00 0.00 -0.283 N ATOM 10 H LIG 1 -0.787 -1.199 0.520 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.376 1.720 -0.692 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.495 -0.217 -0.085 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -3.151 0.868 -0.645 0.00 0.00 +0.136 A ATOM 14 N LIG 1 -4.500 0.953 -0.795 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 -5.273 -0.068 -0.367 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -4.683 -1.198 0.194 0.00 0.00 +0.045 A ATOM 17 C LIG 1 -3.295 -1.273 0.338 0.00 0.00 +0.028 A BRANCH 15 18 ATOM 18 N LIG 1 -6.636 0.025 -0.538 0.00 0.00 -0.315 N ATOM 19 C LIG 1 -7.591 -0.649 0.335 0.00 0.00 +0.106 C ATOM 20 C LIG 1 -8.812 0.272 0.346 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -8.695 1.040 -0.961 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -7.190 1.262 -1.078 0.00 0.00 +0.106 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 N LIG 1 2.137 1.381 0.349 0.00 0.00 -0.302 NA ATOM 24 H LIG 1 1.621 2.172 -0.059 0.00 0.00 +0.123 HD BRANCH 23 25 ATOM 25 C LIG 1 3.488 1.391 -0.226 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 C LIG 1 4.476 0.437 0.459 0.00 0.00 +0.050 C BRANCH 26 30 ATOM 27 C LIG 1 8.483 1.008 -1.050 0.00 0.00 +0.052 A ATOM 28 C LIG 1 8.039 1.738 0.055 0.00 0.00 +0.019 A ATOM 29 C LIG 1 6.744 1.549 0.545 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.882 0.626 -0.063 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.332 -0.099 -1.174 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.627 0.089 -1.664 0.00 0.00 +0.019 A BRANCH 27 34 ATOM 33 N LIG 1 10.887 1.353 -1.963 0.00 0.00 -0.191 NA ATOM 34 C LIG 1 9.812 1.199 -1.553 0.00 0.00 +0.099 C ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9