REMARK Name = BDB027040 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.617 -0.781 0.116 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.907 0.329 0.574 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.567 0.795 0.082 0.00 0.00 +0.032 A ATOM 4 C LIG 1 3.368 -0.541 -0.302 0.00 0.00 +0.049 A ATOM 5 C LIG 1 2.061 -1.058 -0.332 0.00 0.00 +0.049 A ATOM 6 C LIG 1 0.939 -0.305 0.007 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.216 -1.148 -0.138 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.255 -2.380 -0.562 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.140 1.033 0.396 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.619 -2.313 -0.672 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.221 -3.074 -0.954 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.441 1.558 0.424 0.00 0.00 +0.024 A BRANCH 3 17 ATOM 13 C LIG 1 8.709 2.017 -1.307 0.00 0.00 +0.105 C ATOM 14 N LIG 1 7.296 1.758 -1.568 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 6.463 2.876 -1.065 0.00 0.00 +0.103 C ATOM 16 C LIG 1 4.978 2.497 -0.862 0.00 0.00 +0.120 C ATOM 17 N LIG 1 4.833 1.400 0.129 0.00 0.00 -0.327 N ATOM 18 C LIG 1 6.041 0.570 0.308 0.00 0.00 +0.120 C ATOM 19 C LIG 1 6.857 0.463 -0.998 0.00 0.00 +0.103 C ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.731 -1.821 -0.199 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.859 -2.867 0.901 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.835 -2.515 2.261 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.961 -3.491 3.251 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.126 -4.829 2.897 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.174 -5.191 1.553 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.047 -4.217 0.561 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -4.049 -1.162 -0.394 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -4.168 -0.502 0.381 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.115 -0.411 -1.653 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.481 0.273 -1.832 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.757 1.360 -0.818 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -5.112 2.603 -0.912 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -5.359 3.598 0.035 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -6.247 3.351 1.075 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -6.483 4.307 1.982 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -6.893 2.126 1.188 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -6.647 1.129 0.243 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8