REMARK Name = BDB038478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.610 0.013 -1.101 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -1.544 1.346 -0.691 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -0.366 1.858 -0.155 0.00 0.00 +0.052 A ATOM 4 N LIG 1 0.742 1.081 -0.047 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 0.700 -0.209 -0.450 0.00 0.00 +0.129 A ATOM 6 C LIG 1 -0.455 -0.767 -0.981 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 1.884 -0.951 -0.290 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.091 -2.295 -0.566 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.332 -3.148 -0.986 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.494 -2.578 -0.233 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.184 -3.771 -0.339 0.00 0.00 +0.013 A ATOM 12 C LIG 1 5.524 -3.775 0.049 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.134 -2.600 0.529 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.419 -1.392 0.632 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.083 -1.408 0.240 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.075 -0.301 0.233 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.062 -0.131 1.146 0.00 0.00 +0.418 C ATOM 18 F LIG 1 5.439 0.348 2.257 0.00 0.00 -0.166 F ATOM 19 F LIG 1 7.371 -0.282 1.483 0.00 0.00 -0.166 F ATOM 20 F LIG 1 6.021 0.877 0.232 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 21 C LIG 1 -4.067 -0.590 -0.890 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -2.862 -0.559 -1.634 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -2.876 -1.079 -2.943 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -4.045 -1.596 -3.507 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.227 -1.599 -2.776 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.240 -1.095 -1.477 0.00 0.00 +0.012 A BRANCH 21 29 ATOM 27 C LIG 1 -2.832 -1.926 1.652 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -3.579 -0.699 1.586 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -4.149 -0.107 0.487 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -4.794 0.973 0.891 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -4.612 1.107 2.248 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -3.882 0.095 2.650 0.00 0.00 +0.225 A ENDBRANCH 21 29 ENDBRANCH 1 22 BRANCH 3 33 ATOM 33 C LIG 1 -0.280 3.303 0.321 0.00 0.00 +0.036 C ATOM 34 C LIG 1 0.116 3.527 1.778 0.00 0.00 +0.016 C ATOM 35 C LIG 1 -1.296 3.793 1.345 0.00 0.00 +0.016 C BRANCH 33 36 ATOM 36 C LIG 1 0.214 4.253 -0.753 0.00 0.00 +0.168 C BRANCH 36 37 ATOM 37 O LIG 1 0.238 5.610 -0.317 0.00 0.00 -0.394 OA ATOM 38 H LIG 1 0.956 5.682 0.333 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 3 33 TORSDOF 7