REMARK Name = BDB038986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.474 -1.825 1.101 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.274 -2.237 0.551 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.195 -1.257 0.494 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.844 -1.825 0.143 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.666 -3.192 -0.170 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.395 -3.696 -0.471 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.269 -2.869 -0.505 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.455 -1.511 -0.219 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.393 -0.419 -0.169 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.355 0.680 0.226 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.624 0.349 0.356 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.848 -4.128 -0.117 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.705 -0.994 0.104 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.165 -3.388 -0.337 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.636 -0.751 1.669 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.196 2.067 0.455 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.308 2.839 -0.875 0.00 0.00 +0.012 C ATOM 18 C LIG 1 0.850 3.813 -1.087 0.00 0.00 +0.015 C ATOM 19 C LIG 1 0.935 4.863 0.035 0.00 0.00 +0.098 C ATOM 20 C LIG 1 0.441 4.337 1.389 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.634 2.830 1.509 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 0.154 6.108 -0.328 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.832 6.175 -1.042 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 0.645 7.212 0.267 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 0.054 7.932 -0.037 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.719 -2.356 1.508 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.466 -2.745 0.944 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.827 -0.416 -0.477 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.108 -0.865 -1.917 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.624 -1.202 0.581 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -4.109 -0.922 0.537 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.991 -1.833 -0.056 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -6.365 -1.568 -0.106 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -6.871 -0.384 0.431 0.00 0.00 +0.127 A ATOM 35 C LIG 1 -5.994 0.519 1.036 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -4.623 0.258 1.087 0.00 0.00 +0.007 A BRANCH 34 37 ATOM 37 O LIG 1 -8.184 -0.008 0.452 0.00 0.00 -0.434 OA BRANCH 37 38 ATOM 38 C LIG 1 -9.052 -0.697 -0.432 0.00 0.00 +0.541 C ATOM 39 F LIG 1 -10.242 -0.044 -0.422 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -9.289 -1.941 0.053 0.00 0.00 -0.166 F ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 9