REMARK Name = BDB060300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.310 -0.945 0.109 0.00 0.00 +0.219 A ATOM 2 N LIG 1 0.409 0.371 0.553 0.00 0.00 -0.162 N ATOM 3 C LIG 1 1.538 1.143 0.887 0.00 0.00 +0.283 C ATOM 4 O LIG 1 1.377 2.186 1.521 0.00 0.00 -0.265 OA ATOM 5 N LIG 1 -0.838 0.901 0.646 0.00 0.00 -0.139 NA ATOM 6 C LIG 1 -1.623 -0.067 0.151 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.934 -1.214 -0.190 0.00 0.00 -0.192 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.925 0.788 0.547 0.00 0.00 +0.059 A ATOM 9 C LIG 1 3.906 0.899 1.522 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.206 0.583 1.312 0.00 0.00 -0.263 NA ATOM 11 C LIG 1 5.545 0.185 0.065 0.00 0.00 +0.111 A ATOM 12 C LIG 1 4.641 0.080 -0.981 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.305 0.391 -0.736 0.00 0.00 +0.016 A ENDBRANCH 3 8 BRANCH 6 14 ATOM 14 C LIG 1 -3.082 0.039 -0.013 0.00 0.00 +0.110 A ATOM 15 N LIG 1 -3.672 1.214 0.332 0.00 0.00 -0.252 NA ATOM 16 C LIG 1 -5.010 1.309 0.179 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -5.804 0.284 -0.306 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -5.191 -0.912 -0.657 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -3.812 -1.040 -0.510 0.00 0.00 +0.031 A ENDBRANCH 6 14 BRANCH 1 20 ATOM 20 N LIG 1 1.323 -1.837 0.025 0.00 0.00 -0.327 N ATOM 21 H LIG 1 1.009 -2.791 -0.151 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 2.056 -1.833 0.730 0.00 0.00 +0.145 HD ENDBRANCH 1 20 TORSDOF 3