REMARK Name = BDB035778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.271 0.940 0.295 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.089 1.500 0.792 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.106 2.470 1.500 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.019 0.670 0.302 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.375 0.822 0.525 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.249 -0.110 -0.056 0.00 0.00 -0.029 A ATOM 7 C LIG 1 -2.712 -1.165 -0.840 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -1.328 -1.305 -1.057 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.493 -0.361 -0.467 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.995 -0.240 -0.514 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.020 1.204 0.155 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.700 0.747 -0.036 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.592 1.423 0.507 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.842 2.580 1.252 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.144 3.052 1.445 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.227 2.372 0.898 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 6.189 0.435 -0.456 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 5.993 -1.446 2.037 0.00 0.00 +0.151 C ATOM 19 N LIG 1 7.147 -0.691 1.630 0.00 0.00 -0.320 N ATOM 20 C LIG 1 7.271 0.148 0.550 0.00 0.00 +0.141 A ATOM 21 N LIG 1 8.494 0.646 0.552 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 9.168 0.133 1.633 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 8.347 -0.664 2.272 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.738 1.229 -1.646 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.681 0.435 -2.569 0.00 0.00 +0.166 C ATOM 26 O LIG 1 6.613 0.238 -3.533 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 5.845 1.290 -2.897 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -0.764 -2.425 -1.888 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -0.059 -1.964 -2.958 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.701 -3.273 -2.389 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.107 -3.197 -1.180 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.761 0.027 0.158 0.00 0.00 +0.087 C BRANCH 32 33 ATOM 33 C LIG 1 -5.396 0.383 -1.164 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -6.489 1.424 -1.259 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -5.128 1.726 -1.811 0.00 0.00 +0.006 C ENDBRANCH 32 33 BRANCH 32 36 ATOM 36 N LIG 1 -5.282 -1.235 0.704 0.00 0.00 -0.304 NA ATOM 37 H LIG 1 -4.640 -1.530 1.440 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 -6.671 -1.184 1.189 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -7.005 -2.636 1.666 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.344 -2.507 0.914 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -7.668 -1.444 0.025 0.00 0.00 +0.022 C ATOM 42 C LIG 1 -6.975 -0.114 2.223 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 6 32 TORSDOF 9