REMARK Name = BDB004910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.675 -1.487 1.867 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.247 -1.906 0.606 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.813 -2.823 0.455 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -1.451 -3.304 1.608 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.029 -2.894 2.872 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.028 -1.992 3.000 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.526 0.031 1.127 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.720 -0.563 2.081 0.00 0.00 -0.281 N ATOM 9 H LIG 1 1.925 -0.362 3.051 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.529 -0.184 -0.079 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 5.444 2.840 2.583 0.00 0.00 +0.155 A ATOM 12 C LIG 1 4.186 2.741 3.190 0.00 0.00 +0.165 A ATOM 13 F LIG 1 3.881 3.527 4.234 0.00 0.00 -0.202 F ATOM 14 C LIG 1 3.222 1.842 2.740 0.00 0.00 +0.055 A ATOM 15 C LIG 1 3.516 1.009 1.660 0.00 0.00 +0.040 A ATOM 16 C LIG 1 4.764 1.109 1.030 0.00 0.00 +0.017 A ATOM 17 C LIG 1 5.726 2.016 1.492 0.00 0.00 +0.049 A BRANCH 11 19 ATOM 18 C LIG 1 7.570 3.912 2.515 0.00 0.00 +0.277 C ATOM 19 O LIG 1 6.296 3.760 3.129 0.00 0.00 -0.492 OA ENDBRANCH 11 19 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -1.257 -3.221 -0.949 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -1.507 -4.729 -1.078 0.00 0.00 +0.033 C BRANCH 20 22 ATOM 22 N LIG 1 -2.504 -2.527 -1.297 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -3.101 -2.441 -0.479 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.384 -1.251 -1.891 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -3.549 -0.513 -2.192 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -3.360 0.766 -2.753 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -4.512 1.527 -3.044 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.805 1.024 -2.798 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -5.980 -0.241 -2.263 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -2.113 1.228 -2.999 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -1.081 0.428 -2.711 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.860 -1.004 -1.963 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -1.161 -0.791 -2.184 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -4.459 2.904 -3.630 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -5.481 3.521 -3.913 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -3.240 3.474 -3.846 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -2.386 2.954 -3.668 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -3.194 4.383 -4.282 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 7