REMARK Name = BDB050476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.334 0.909 0.080 0.00 0.00 +0.089 A ATOM 2 C LIG 1 -0.019 0.788 -1.277 0.00 0.00 +0.235 A ATOM 3 F LIG 1 1.194 0.310 -1.607 0.00 0.00 -0.182 F ATOM 4 N LIG 1 -0.841 1.122 -2.293 0.00 0.00 -0.226 NA ATOM 5 C LIG 1 -2.055 1.601 -1.946 0.00 0.00 +0.119 A ATOM 6 C LIG 1 -2.496 1.741 -0.632 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -1.601 1.397 0.391 0.00 0.00 +0.034 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 0.562 0.623 2.407 0.00 0.00 +0.222 C ATOM 9 N LIG 1 0.646 0.543 1.032 0.00 0.00 -0.282 N ATOM 10 H LIG 1 1.534 0.246 0.630 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.429 0.988 3.036 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 4.475 -0.090 0.679 0.00 0.00 +0.403 C ATOM 13 N LIG 1 3.500 -0.320 1.620 0.00 0.00 -0.267 N ATOM 14 C LIG 1 3.100 0.694 2.578 0.00 0.00 +0.124 C ATOM 15 C LIG 1 1.805 0.153 3.162 0.00 0.00 +0.094 C ATOM 16 C LIG 1 1.987 -1.367 3.104 0.00 0.00 +0.033 C ATOM 17 C LIG 1 2.898 -1.612 1.905 0.00 0.00 +0.112 C ATOM 18 O LIG 1 5.016 0.997 0.531 0.00 0.00 -0.226 OA BRANCH 12 19 ATOM 19 O LIG 1 4.723 -1.202 -0.056 0.00 0.00 -0.445 OA BRANCH 19 21 ATOM 20 C LIG 1 7.075 -0.784 -0.690 0.00 0.00 +0.055 C ATOM 21 C LIG 1 5.667 -1.170 -1.157 0.00 0.00 +0.107 C ATOM 22 C LIG 1 5.705 -2.615 -1.679 0.00 0.00 +0.055 C ATOM 23 C LIG 1 5.164 -0.253 -2.277 0.00 0.00 +0.055 C ENDBRANCH 19 21 ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 -3.863 2.299 -0.316 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 N LIG 1 -4.964 1.536 -0.908 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -5.443 0.331 -0.307 0.00 0.00 +0.059 A ATOM 27 C LIG 1 -6.490 -0.373 -0.915 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -6.993 -1.562 -0.368 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -6.449 -2.067 0.808 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.409 -1.385 1.431 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.077 0.146 -2.159 0.00 0.00 +0.262 A ATOM 32 O LIG 1 -7.974 -0.445 -2.748 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -6.558 1.322 -2.617 0.00 0.00 -0.274 N ATOM 34 H LIG 1 -6.942 1.676 -3.481 0.00 0.00 +0.173 HD ATOM 35 C LIG 1 -4.910 -0.196 0.881 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -5.521 2.028 -2.080 0.00 0.00 +0.330 A ATOM 37 O LIG 1 -5.126 3.041 -2.656 0.00 0.00 -0.246 OA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 6