REMARK Name = BDB024888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.359 -0.788 1.772 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.043 -1.274 1.655 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.888 -2.699 2.003 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.499 -3.599 0.915 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.446 -3.094 2.308 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.549 -2.719 1.149 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.695 -1.255 0.851 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.607 -0.549 0.286 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.624 -1.026 -0.083 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 1.308 0.003 -0.550 0.00 0.00 +0.144 A ATOM 11 N LIG 1 0.532 1.153 -0.498 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -0.689 0.815 0.053 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.830 1.542 0.387 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.912 0.833 0.931 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.901 -0.558 1.127 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.241 -1.383 2.391 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.952 2.492 -0.908 0.00 0.00 +0.090 C ATOM 18 C LIG 1 1.098 3.453 0.279 0.00 0.00 +0.039 C ATOM 19 C LIG 1 1.754 4.779 -0.149 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.428 5.184 -1.595 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.095 4.609 -2.065 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.091 3.079 -2.043 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 1.345 5.901 0.792 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.221 6.044 1.250 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 2.343 6.774 1.053 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 3.190 6.572 0.615 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -6.971 0.807 1.157 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -5.619 0.356 1.080 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.729 -0.026 -1.059 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 3.393 -1.391 -1.148 0.00 0.00 -0.009 A ATOM 31 C LIG 1 4.120 -1.731 -2.297 0.00 0.00 +0.048 A ATOM 32 C LIG 1 4.768 -2.963 -2.386 0.00 0.00 +0.165 A ATOM 33 F LIG 1 5.450 -3.243 -3.507 0.00 0.00 -0.202 F ATOM 34 C LIG 1 4.721 -3.890 -1.342 0.00 0.00 +0.155 A ATOM 35 C LIG 1 4.011 -3.557 -0.190 0.00 0.00 +0.049 A ATOM 36 C LIG 1 3.360 -2.318 -0.092 0.00 0.00 +0.010 A BRANCH 34 37 ATOM 37 O LIG 1 5.397 -5.061 -1.553 0.00 0.00 -0.492 OA ATOM 38 C LIG 1 5.317 -6.049 -0.535 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 3.498 0.806 -0.185 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 3.759 0.241 0.563 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 8