REMARK Name = BDB046196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 0.471 -1.439 0.375 0.00 0.00 +0.185 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 -1.541 -0.740 -1.493 0.00 0.00 -0.226 OA ATOM 3 C LIG 1 -1.795 -0.792 -0.300 0.00 0.00 +0.401 C ATOM 4 N LIG 1 -0.882 -0.997 0.691 0.00 0.00 -0.268 N ATOM 5 H LIG 1 -1.304 -1.303 1.558 0.00 0.00 +0.153 HD BRANCH 3 6 ATOM 6 O LIG 1 -3.026 -0.687 0.250 0.00 0.00 -0.449 OA BRANCH 6 7 ATOM 7 C LIG 1 -4.084 -0.471 -0.704 0.00 0.00 +0.246 C BRANCH 7 8 ATOM 8 C LIG 1 -5.416 -0.352 0.043 0.00 0.00 +0.088 C ATOM 9 C LIG 1 -6.621 -0.441 -0.887 0.00 0.00 -0.029 A ATOM 10 C LIG 1 -7.404 0.730 -0.789 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -8.557 0.870 -1.543 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -8.929 -0.175 -2.394 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -8.153 -1.342 -2.482 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.790 1.627 0.167 0.00 0.00 -0.014 A ATOM 15 C LIG 1 -7.179 2.884 0.601 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -6.389 3.535 1.552 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.228 2.930 2.059 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.835 1.663 1.624 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -6.990 -1.485 -1.723 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -5.619 1.024 0.675 0.00 0.00 -0.029 A ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 0.448 -2.965 0.241 0.00 0.00 +0.325 C ATOM 22 O LIG 1 -0.406 -3.724 0.673 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 OXT LIG 1 1.537 -3.454 -0.388 0.00 0.00 -0.479 OA ATOM 24 HXT LIG 1 1.362 -4.419 -0.442 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 25 ATOM 25 C LIG 1 1.450 -1.016 1.482 0.00 0.00 +0.035 C BRANCH 25 26 ATOM 26 C LIG 1 2.669 -0.241 0.964 0.00 0.00 +0.026 C BRANCH 26 27 ATOM 27 C LIG 1 3.593 -1.069 0.070 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 N LIG 1 4.819 -0.364 -0.241 0.00 0.00 -0.251 N ATOM 29 N LIG 1 4.826 0.612 -1.161 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 6.066 1.075 -1.234 0.00 0.00 -0.130 NA ATOM 31 C LIG 1 6.846 0.372 -0.347 0.00 0.00 +0.113 A ATOM 32 C LIG 1 6.057 -0.556 0.297 0.00 0.00 +0.138 A BRANCH 31 33 ATOM 33 C LIG 1 8.267 0.611 -0.159 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.905 1.611 -0.911 0.00 0.00 +0.011 A ATOM 35 C LIG 1 10.271 1.867 -0.755 0.00 0.00 +0.016 A ATOM 36 C LIG 1 11.011 1.123 0.158 0.00 0.00 +0.018 A ATOM 37 BR LIG 1 12.857 1.465 0.373 0.00 0.00 -0.050 Br ATOM 38 C LIG 1 10.399 0.126 0.914 0.00 0.00 +0.016 A ATOM 39 C LIG 1 9.032 -0.128 0.756 0.00 0.00 +0.011 A ENDBRANCH 31 33 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 11