REMARK Name = BDB035766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.140 -0.345 0.972 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.115 -0.373 1.592 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.444 -0.185 2.749 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.101 -0.686 0.550 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.472 -0.819 0.672 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.207 -1.114 -0.484 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.532 -1.270 -1.720 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.135 -1.130 -1.826 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.435 -0.835 -0.660 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.029 -0.627 -0.453 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.857 0.177 1.417 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.582 -0.061 0.850 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.391 -0.098 1.603 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.492 0.113 2.980 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.728 0.345 3.581 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.887 0.373 2.810 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.614 -0.923 -0.640 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.217 -0.320 -0.913 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.208 0.234 0.551 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.253 -0.895 0.861 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.839 1.695 0.623 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.243 2.883 0.297 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -3.908 3.107 -0.182 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.179 3.846 0.522 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.287 3.290 0.952 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.073 1.934 1.018 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -8.100 -2.813 -0.936 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.839 -2.224 -1.223 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.421 -1.284 -3.140 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.488 -2.276 -3.103 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.237 -1.571 -4.189 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.740 -0.156 -3.487 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.714 -1.274 -0.415 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.426 -0.335 -1.295 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.335 1.066 -0.851 0.00 0.00 +0.085 C ATOM 36 C LIG 1 7.164 1.387 0.396 0.00 0.00 +0.015 C ATOM 37 C LIG 1 8.619 0.967 0.217 0.00 0.00 +0.002 C ATOM 38 C LIG 1 8.716 -0.480 -0.254 0.00 0.00 +0.015 C ATOM 39 C LIG 1 7.833 -0.724 -1.480 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7