REMARK Name = BDB026130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.349 -1.040 0.233 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.623 0.170 0.143 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.773 0.132 -0.026 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.486 -1.080 -0.103 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.744 -2.261 -0.015 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.355 -3.455 -0.071 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.639 -2.246 0.147 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.975 -2.978 -0.889 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.004 -1.485 -0.527 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.582 -1.141 0.794 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.939 -1.626 1.000 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.681 -1.336 1.956 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.538 -2.776 2.470 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.272 -0.713 1.718 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.728 -1.154 0.424 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.591 -0.861 -0.731 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.949 -1.089 -0.275 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.789 -0.267 0.473 0.00 0.00 +0.121 A ATOM 19 N LIG 1 5.143 -0.223 0.365 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 5.742 -1.022 -0.540 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.982 -1.893 -1.321 0.00 0.00 +0.044 A ATOM 22 C LIG 1 3.591 -1.923 -1.191 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 7.144 -1.012 -0.672 0.00 0.00 -0.311 N ATOM 24 C LIG 1 7.811 -0.204 0.375 0.00 0.00 +0.134 C ATOM 25 C LIG 1 9.335 -0.303 0.209 0.00 0.00 +0.178 C ATOM 26 O LIG 1 9.751 0.126 -1.099 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.124 -0.684 -2.106 0.00 0.00 +0.178 C ATOM 28 C LIG 1 7.589 -0.612 -2.025 0.00 0.00 +0.134 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.332 1.392 0.201 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.336 1.286 0.225 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.815 2.663 0.306 0.00 0.00 +0.249 C ATOM 32 O LIG 1 0.350 3.003 0.446 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.843 3.727 0.306 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -2.572 4.052 -0.850 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -3.542 5.066 -0.760 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -3.747 5.738 0.442 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -4.673 6.703 0.504 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -3.004 5.429 1.574 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -2.043 4.422 1.509 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -2.336 3.343 -2.156 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.851 2.082 -2.147 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.025 3.222 -2.486 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.926 3.967 -3.214 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6