REMARK Name = BDB010346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.603 -0.653 1.150 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.497 -0.763 0.325 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.330 -1.734 0.855 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.302 -2.085 2.040 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.159 -3.002 2.903 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.291 -3.564 2.481 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.987 -3.298 1.342 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.528 -2.352 0.495 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.453 -1.385 2.228 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.594 -0.169 -0.191 0.00 0.00 +0.079 C ATOM 11 N LIG 1 2.638 0.189 0.883 0.00 0.00 -0.298 N ATOM 12 C LIG 1 3.216 0.862 2.063 0.00 0.00 +0.108 C ATOM 13 C LIG 1 4.452 1.694 1.714 0.00 0.00 +0.019 C ATOM 14 C LIG 1 4.403 2.248 0.300 0.00 0.00 +0.003 C ATOM 15 C LIG 1 4.112 1.176 -0.756 0.00 0.00 +0.023 C BRANCH 10 17 ATOM 16 C LIG 1 5.985 -1.126 -0.508 0.00 0.00 +0.009 C ATOM 17 C LIG 1 4.672 -1.202 0.279 0.00 0.00 +0.003 C ATOM 18 C LIG 1 4.139 -2.641 0.174 0.00 0.00 +0.009 C ENDBRANCH 10 17 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 -1.917 -4.627 3.345 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -1.503 -5.033 4.416 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -3.056 -5.101 2.759 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -3.190 -4.635 1.901 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.238 -2.065 -0.655 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.077 -1.161 -1.071 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.575 -2.613 -0.864 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -3.751 -2.851 -2.367 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.703 -1.701 -0.368 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.659 -1.096 1.066 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.416 0.120 0.494 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -4.806 -0.235 -0.878 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.225 0.057 -0.842 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 -0.760 1.213 -0.569 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -1.241 1.845 -1.893 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -0.434 3.084 -2.269 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -0.542 4.190 -1.203 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -1.615 5.217 -1.568 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -0.806 3.627 0.204 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.149 2.263 0.382 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9