REMARK Name = BDB030570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.011 1.592 -0.816 0.00 0.00 +0.159 A ATOM 2 C LIG 1 -1.217 1.143 -0.341 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -1.307 -0.041 0.291 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -2.339 1.942 -0.548 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -2.227 3.132 -1.175 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -1.002 3.490 -1.582 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.124 2.775 -1.444 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 1.163 0.815 -0.568 0.00 0.00 -0.326 N ATOM 9 H LIG 1 0.952 -0.164 -0.749 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.395 1.301 -1.199 0.00 0.00 +0.119 C BRANCH 10 14 ATOM 11 N LIG 1 5.853 -1.221 -0.941 0.00 0.00 -0.294 NA ATOM 12 C LIG 1 6.127 0.153 -1.390 0.00 0.00 +0.086 C ATOM 13 C LIG 1 4.848 0.965 -1.645 0.00 0.00 +0.033 C ATOM 14 C LIG 1 3.635 0.437 -0.837 0.00 0.00 +0.066 C ATOM 15 C LIG 1 3.413 -1.048 -1.243 0.00 0.00 +0.033 C ATOM 16 C LIG 1 4.701 -1.784 -1.641 0.00 0.00 +0.086 C BRANCH 14 17 ATOM 17 C LIG 1 3.911 0.598 0.637 0.00 0.00 +0.225 A ATOM 18 O LIG 1 3.285 -0.247 1.521 0.00 0.00 -0.427 OA ATOM 19 C LIG 1 3.737 0.226 2.714 0.00 0.00 +0.332 A ATOM 20 N LIG 1 4.566 1.234 2.598 0.00 0.00 -0.116 NA ATOM 21 N LIG 1 4.676 1.484 1.247 0.00 0.00 -0.112 NA ENDBRANCH 14 17 BRANCH 11 22 ATOM 22 C LIG 1 7.065 -2.063 -1.101 0.00 0.00 +0.180 C BRANCH 22 26 ATOM 23 N LIG 1 6.457 -3.092 1.026 0.00 0.00 -0.328 N ATOM 24 H LIG 1 6.260 -3.898 1.601 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 5.913 -2.245 1.159 0.00 0.00 +0.145 HD ATOM 26 C LIG 1 6.965 -3.314 -0.225 0.00 0.00 +0.225 C ATOM 27 O LIG 1 7.342 -4.426 -0.576 0.00 0.00 -0.275 OA ENDBRANCH 22 26 ENDBRANCH 11 22 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 28 ATOM 28 N LIG 1 -3.615 1.529 -0.059 0.00 0.00 -0.305 N BRANCH 28 29 ATOM 29 C LIG 1 -4.630 2.604 0.081 0.00 0.00 +0.075 C ATOM 30 C LIG 1 -5.617 2.605 1.217 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -4.516 3.621 1.187 0.00 0.00 +0.024 C ENDBRANCH 28 29 BRANCH 28 32 ATOM 32 C LIG 1 -4.090 0.326 -0.768 0.00 0.00 +0.142 C BRANCH 32 33 ATOM 33 C LIG 1 -5.009 -0.502 0.107 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -6.359 -0.671 -0.227 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -7.200 -1.437 0.584 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -6.705 -2.056 1.742 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -5.355 -1.882 2.078 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -4.515 -1.115 1.268 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -7.611 -2.865 2.636 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -8.760 -3.266 2.023 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -8.000 -2.175 3.744 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -7.020 -4.005 3.095 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 4 28 TORSDOF 11