REMARK Name = BDB034336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.898 -0.412 0.282 0.00 0.00 -0.343 N ATOM 2 H LIG 1 1.902 0.495 0.743 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 6.795 1.322 0.191 0.00 0.00 +0.057 A ATOM 4 C LIG 1 6.792 -0.080 0.122 0.00 0.00 +0.040 A ATOM 5 C LIG 1 5.620 -0.823 0.130 0.00 0.00 +0.073 A ATOM 6 C LIG 1 4.379 -0.152 0.224 0.00 0.00 +0.021 A ATOM 7 C LIG 1 3.208 -0.956 0.236 0.00 0.00 +0.038 A ATOM 8 C LIG 1 3.333 -2.341 0.118 0.00 0.00 +0.043 A ATOM 9 C LIG 1 4.596 -2.886 0.034 0.00 0.00 +0.113 A ATOM 10 C LIG 1 4.380 1.262 0.294 0.00 0.00 +0.012 A ATOM 11 N LIG 1 5.729 -2.156 0.041 0.00 0.00 -0.255 NA ATOM 12 C LIG 1 5.572 1.988 0.282 0.00 0.00 +0.013 A BRANCH 3 14 ATOM 13 F LIG 1 8.642 2.157 1.446 0.00 0.00 -0.166 F ATOM 14 C LIG 1 8.098 2.079 0.201 0.00 0.00 +0.417 C ATOM 15 F LIG 1 7.972 3.365 -0.234 0.00 0.00 -0.166 F ATOM 16 F LIG 1 9.051 1.513 -0.592 0.00 0.00 -0.166 F ENDBRANCH 3 14 ENDBRANCH 1 7 BRANCH 1 17 ATOM 17 C LIG 1 1.287 -0.322 -1.049 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 C LIG 1 -0.120 0.269 -0.949 0.00 0.00 +0.034 C BRANCH 18 19 ATOM 19 C LIG 1 -1.083 -0.652 -0.197 0.00 0.00 +0.083 C BRANCH 19 20 ATOM 20 N LIG 1 -2.423 -0.061 -0.194 0.00 0.00 -0.312 NA ATOM 21 H LIG 1 -2.763 0.038 -1.150 0.00 0.00 +0.122 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.364 -0.895 0.552 0.00 0.00 +0.116 C BRANCH 22 23 ATOM 23 C LIG 1 -4.755 -0.309 0.497 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -5.760 -0.928 -0.264 0.00 0.00 +0.054 A ATOM 25 C LIG 1 -7.011 -0.345 -0.285 0.00 0.00 +0.167 A ATOM 26 O LIG 1 -8.091 -0.813 -0.967 0.00 0.00 -0.453 OA ATOM 27 C LIG 1 -9.079 0.180 -0.620 0.00 0.00 +0.466 C ATOM 28 O LIG 1 -8.575 1.214 0.251 0.00 0.00 -0.453 OA ATOM 29 C LIG 1 -7.287 0.809 0.408 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -6.328 1.449 1.161 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -5.050 0.882 1.202 0.00 0.00 +0.009 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8