REMARK Name = BDB063784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.333 -0.870 0.508 0.00 0.00 +0.017 A ATOM 2 C LIG 1 1.358 -1.258 1.441 0.00 0.00 +0.012 A ATOM 3 C LIG 1 0.171 -1.867 1.019 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -0.052 -2.082 -0.344 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.914 -1.722 -1.284 0.00 0.00 +0.014 A ATOM 6 C LIG 1 2.093 -1.107 -0.856 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 6.561 1.693 0.556 0.00 0.00 +0.064 A ATOM 8 C LIG 1 5.433 0.916 0.877 0.00 0.00 +0.102 A ATOM 9 C LIG 1 5.301 0.442 2.180 0.00 0.00 +0.067 A ATOM 10 N LIG 1 4.124 -0.263 2.170 0.00 0.00 -0.338 N ATOM 11 H LIG 1 3.732 -0.758 2.957 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 3.586 -0.220 0.905 0.00 0.00 +0.139 A ATOM 13 C LIG 1 6.230 0.693 3.193 0.00 0.00 +0.028 A ATOM 14 C LIG 1 7.345 1.466 2.853 0.00 0.00 +0.003 A ATOM 15 N LIG 1 4.380 0.471 0.109 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 7.513 1.961 1.558 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 7.999 2.142 -1.329 0.00 0.00 -0.325 N ATOM 18 H LIG 1 8.673 1.491 -0.952 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 8.078 2.381 -2.310 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 6.736 2.236 -0.805 0.00 0.00 +0.244 C ATOM 21 O LIG 1 5.829 2.754 -1.440 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 -1.298 -2.729 -0.808 0.00 0.00 +0.247 C ATOM 23 N LIG 1 -2.512 -2.115 -0.520 0.00 0.00 -0.295 N ATOM 24 C LIG 1 -3.741 -2.821 -0.890 0.00 0.00 +0.127 C ATOM 25 C LIG 1 -4.971 -2.279 -0.156 0.00 0.00 +0.127 C ATOM 26 N LIG 1 -5.147 -0.835 -0.340 0.00 0.00 -0.292 N ATOM 27 C LIG 1 -6.391 -0.285 -0.010 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -7.248 -0.983 0.534 0.00 0.00 -0.267 OA ATOM 29 C LIG 1 -3.929 -0.052 -0.583 0.00 0.00 +0.127 C ATOM 30 C LIG 1 -2.660 -0.734 -0.043 0.00 0.00 +0.127 C ATOM 31 O LIG 1 -1.203 -3.786 -1.425 0.00 0.00 -0.270 OA BRANCH 27 32 ATOM 32 C LIG 1 -6.639 1.108 -0.342 0.00 0.00 +0.191 A ATOM 33 O LIG 1 -7.432 1.835 0.507 0.00 0.00 -0.444 OA ATOM 34 C LIG 1 -7.545 3.087 -0.006 0.00 0.00 +0.171 A ATOM 35 BR LIG 1 -8.537 4.493 0.804 0.00 0.00 -0.008 Br ATOM 36 C LIG 1 -6.848 3.185 -1.187 0.00 0.00 +0.058 A ATOM 37 C LIG 1 -6.273 1.909 -1.411 0.00 0.00 +0.056 A ENDBRANCH 27 32 ENDBRANCH 4 22 TORSDOF 4