REMARK Name = BDB002410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.447 0.872 -0.530 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.595 0.480 -1.538 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -0.840 0.384 -1.297 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -1.460 0.379 -2.694 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.370 -0.260 -3.552 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.917 0.272 -2.939 0.00 0.00 +0.109 C ATOM 7 O LIG 1 1.020 1.201 0.583 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.177 -0.918 -0.538 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -2.433 -0.917 0.034 0.00 0.00 -0.307 N ATOM 10 H LIG 1 -2.943 -0.045 0.096 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -0.423 -1.887 -0.491 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.877 -2.009 0.890 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.978 -1.498 1.804 0.00 0.00 -0.024 A ATOM 14 C LIG 1 -5.330 -1.836 1.598 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -6.309 -1.314 2.457 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.958 -0.450 3.495 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.624 -0.103 3.693 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.747 -2.809 0.522 0.00 0.00 +0.035 C ATOM 19 C LIG 1 -4.693 -2.992 -0.566 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -3.640 -0.625 2.855 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -3.322 -3.225 0.062 0.00 0.00 +0.027 C ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 2.966 0.818 -0.806 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 N LIG 1 3.614 1.725 0.142 0.00 0.00 -0.302 N ATOM 24 H LIG 1 3.333 1.587 1.107 0.00 0.00 +0.150 HD ATOM 25 C LIG 1 3.903 3.024 -0.210 0.00 0.00 +0.230 C ATOM 26 O LIG 1 3.814 3.444 -1.362 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C LIG 1 4.349 3.917 0.973 0.00 0.00 +0.135 C ATOM 28 C LIG 1 5.631 3.393 1.605 0.00 0.00 +0.033 C BRANCH 27 29 ATOM 29 N LIG 1 4.564 5.300 0.505 0.00 0.00 -0.320 NA ATOM 30 H LIG 1 3.709 5.601 0.033 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 5.248 5.265 -0.255 0.00 0.00 +0.119 HD ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 22 23 BRANCH 22 33 ATOM 32 C LIG 1 4.955 -0.704 -1.168 0.00 0.00 +0.009 C ATOM 33 C LIG 1 3.505 -0.626 -0.684 0.00 0.00 +0.012 C ATOM 34 C LIG 1 3.397 -1.205 0.731 0.00 0.00 +0.009 C ENDBRANCH 22 33 ENDBRANCH 1 22 TORSDOF 7