REMARK Name = BDB025974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.376 -0.547 -0.092 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.859 -1.854 -0.124 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.689 -2.909 -0.167 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.510 -2.115 -0.101 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.423 -1.060 -0.033 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.932 0.265 0.003 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.446 0.510 -0.032 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.823 -1.268 0.001 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.289 -1.954 1.229 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.502 -2.909 1.011 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.048 -4.340 0.681 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.476 -2.356 0.059 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.755 -3.046 0.020 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.907 -1.917 -1.237 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.346 -2.741 -2.459 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.350 -1.800 -1.267 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.551 0.196 -0.163 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.770 0.954 0.623 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.441 0.696 0.628 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.824 -0.288 -0.120 0.00 0.00 +0.021 A ATOM 21 C LIG 1 3.719 -1.000 -0.894 0.00 0.00 +0.124 A ATOM 22 N LIG 1 5.054 -0.784 -0.931 0.00 0.00 -0.222 NA BRANCH 17 28 ATOM 23 C LIG 1 9.560 2.614 1.461 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.958 1.585 0.515 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.692 0.356 0.689 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 8.920 -0.819 0.398 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.814 -0.604 -0.648 0.00 0.00 +0.136 C ATOM 28 N LIG 1 6.905 0.455 -0.205 0.00 0.00 -0.295 N ATOM 29 C LIG 1 7.442 1.421 0.754 0.00 0.00 +0.139 C ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -1.916 1.274 0.067 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.860 0.888 0.032 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.738 2.627 0.202 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.675 3.223 0.346 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.025 3.383 0.259 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -4.018 3.417 -0.811 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -5.138 4.150 -0.647 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.365 4.921 0.602 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.386 5.577 0.760 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.365 4.846 1.537 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.507 5.386 2.383 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.220 4.106 1.375 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.760 2.679 -2.088 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.914 1.340 -1.909 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.494 2.871 -2.539 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6