REMARK Name = BDB010380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.316 -1.706 -0.855 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.384 -0.972 -0.140 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.809 -1.032 -0.825 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.512 -1.813 -1.932 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.400 -2.161 -2.877 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.623 -1.682 -2.617 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -3.009 -0.919 -1.578 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.107 -0.556 -0.646 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.793 -2.197 -1.951 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.662 -2.038 -3.608 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.332 -2.816 -4.653 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.427 -3.207 -4.857 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.442 -2.980 -5.383 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.535 -3.629 -6.412 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.466 -2.293 -4.777 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.907 -1.684 -3.607 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.579 -1.870 -0.421 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.987 -1.324 0.337 0.00 0.00 +0.150 HD BRANCH 17 20 ATOM 19 C LIG 1 3.838 -3.842 -1.092 0.00 0.00 +0.034 C ATOM 20 C LIG 1 3.614 -2.351 -1.337 0.00 0.00 +0.120 C BRANCH 20 21 ATOM 21 C LIG 1 4.897 -1.568 -1.086 0.00 0.00 +0.079 A ATOM 22 N LIG 1 5.034 -0.902 0.103 0.00 0.00 -0.255 NA ATOM 23 C LIG 1 6.198 -0.233 0.269 0.00 0.00 +0.131 A ATOM 24 C LIG 1 7.191 -0.219 -0.696 0.00 0.00 +0.130 A ATOM 25 N LIG 1 7.068 -0.872 -1.873 0.00 0.00 -0.260 NA ATOM 26 C LIG 1 5.905 -1.543 -2.046 0.00 0.00 +0.135 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 8 27 ATOM 27 N LIG 1 -2.483 0.250 0.425 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.789 0.968 0.582 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.861 0.769 0.439 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -3.868 2.055 1.272 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.825 -0.291 0.991 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -6.298 0.076 1.335 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.229 -1.007 2.433 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -4.702 -0.781 2.462 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 0.639 -0.353 1.151 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 1.467 0.946 1.066 0.00 0.00 +0.009 C ATOM 37 C LIG 1 2.023 1.306 2.453 0.00 0.00 +0.005 C ATOM 38 C LIG 1 2.855 2.587 2.412 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.063 3.762 1.825 0.00 0.00 -0.014 C ATOM 40 C LIG 1 2.937 5.012 1.739 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.495 3.402 0.447 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.660 2.123 0.500 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9