REMARK Name = BDB010146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.252 -0.650 0.606 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.948 -0.416 1.041 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.620 -0.588 2.379 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.706 -0.380 2.608 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.210 -0.042 1.447 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.495 -0.936 3.333 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.731 -1.077 2.853 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.231 0.024 0.475 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -3.151 -0.954 1.562 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.512 0.250 1.174 0.00 0.00 -0.296 N ATOM 11 C LIG 1 3.314 -0.946 0.789 0.00 0.00 +0.143 C ATOM 12 C LIG 1 4.838 -0.648 0.821 0.00 0.00 +0.085 C ATOM 13 C LIG 1 5.279 0.337 -0.272 0.00 0.00 +0.036 C ATOM 14 C LIG 1 5.385 -0.498 -1.544 0.00 0.00 +0.003 C ATOM 15 C LIG 1 5.624 -1.936 -1.085 0.00 0.00 +0.003 C ATOM 16 C LIG 1 5.655 -1.889 0.438 0.00 0.00 +0.036 C ATOM 17 O LIG 1 5.301 -0.188 2.100 0.00 0.00 -0.370 OA ATOM 18 C LIG 1 4.253 0.263 2.971 0.00 0.00 +0.179 C ATOM 19 C LIG 1 3.184 1.065 2.225 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -2.619 -0.597 -0.728 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.911 -1.028 -1.314 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -5.001 0.100 -0.709 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -3.972 -0.914 -1.203 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -4.408 -2.348 -0.904 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -3.541 -3.481 -1.523 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -4.848 -4.269 -1.734 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.577 -2.910 -1.762 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -3.824 -1.437 3.825 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -3.698 -1.626 5.022 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -5.022 -1.536 3.179 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -4.888 -1.338 2.224 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.427 0.571 -0.858 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 0.206 2.065 -0.892 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -1.072 2.602 -1.095 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -1.270 3.985 -1.111 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.194 4.863 -0.916 0.00 0.00 +0.055 A ATOM 37 C LIG 1 1.086 4.327 -0.720 0.00 0.00 +0.013 A ATOM 38 C LIG 1 1.282 2.944 -0.704 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.402 6.357 -0.955 0.00 0.00 +0.417 C ATOM 40 F LIG 1 0.450 7.037 -0.136 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.657 6.734 -0.581 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.212 6.871 -2.201 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9