REMARK Name = BDB054738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.371 -0.598 0.889 0.00 0.00 -0.341 N ATOM 2 C LIG 1 -0.796 -0.714 0.155 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -1.585 0.395 0.475 0.00 0.00 +0.000 A ATOM 4 C LIG 1 -2.839 0.547 -0.149 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -3.291 -0.413 -1.070 0.00 0.00 -0.044 A ATOM 6 C LIG 1 -2.478 -1.509 -1.373 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.874 1.163 1.435 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.226 -1.679 -0.770 0.00 0.00 +0.026 A ATOM 9 C LIG 1 0.318 0.524 1.681 0.00 0.00 +0.087 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.492 -1.532 0.875 0.00 0.00 +0.180 C BRANCH 10 13 ATOM 11 C LIG 1 1.926 -0.057 -2.150 0.00 0.00 +0.088 C ATOM 12 C LIG 1 2.832 -0.362 -1.028 0.00 0.00 +0.127 A ATOM 13 C LIG 1 2.690 -0.950 0.214 0.00 0.00 +0.102 A ATOM 14 N LIG 1 3.919 -0.970 0.847 0.00 0.00 -0.212 NA ATOM 15 C LIG 1 4.741 -0.390 -0.007 0.00 0.00 +0.228 A ATOM 16 O LIG 1 4.141 0.000 -1.175 0.00 0.00 -0.440 OA BRANCH 15 17 ATOM 17 C LIG 1 6.170 -0.123 0.124 0.00 0.00 +0.037 A ATOM 18 C LIG 1 6.904 0.512 -0.888 0.00 0.00 +0.014 A ATOM 19 C LIG 1 8.274 0.756 -0.736 0.00 0.00 +0.013 A ATOM 20 C LIG 1 8.944 0.363 0.431 0.00 0.00 +0.055 A ATOM 21 C LIG 1 8.212 -0.263 1.449 0.00 0.00 +0.013 A ATOM 22 C LIG 1 6.843 -0.505 1.294 0.00 0.00 +0.014 A BRANCH 20 23 ATOM 23 C LIG 1 10.416 0.647 0.605 0.00 0.00 +0.417 C ATOM 24 F LIG 1 11.103 0.647 -0.572 0.00 0.00 -0.166 F ATOM 25 F LIG 1 11.045 -0.263 1.401 0.00 0.00 -0.166 F ATOM 26 F LIG 1 10.646 1.863 1.173 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 5 27 ATOM 27 C LIG 1 -4.651 -0.259 -1.720 0.00 0.00 +0.078 C BRANCH 27 28 ATOM 28 C LIG 1 -5.794 -0.382 -0.694 0.00 0.00 +0.231 C BRANCH 28 29 ATOM 29 C LIG 1 -6.953 -1.144 -1.359 0.00 0.00 +0.334 C ATOM 30 O LIG 1 -8.008 -0.649 -1.726 0.00 0.00 -0.248 OA BRANCH 29 31 ATOM 31 O LIG 1 -6.709 -2.475 -1.489 0.00 0.00 -0.479 OA ATOM 32 H LIG 1 -5.851 -2.767 -1.126 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 O LIG 1 -6.131 0.939 -0.265 0.00 0.00 -0.362 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.983 0.991 0.883 0.00 0.00 +0.113 C ATOM 35 C LIG 1 -6.141 0.930 2.154 0.00 0.00 +0.037 C ATOM 36 C LIG 1 -7.747 2.307 0.816 0.00 0.00 +0.037 C ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10