REMARK Name = BDB025872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.051 -1.037 0.142 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.545 0.260 0.399 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.835 0.491 0.429 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.751 -0.555 0.211 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.226 -1.833 -0.031 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.050 -2.870 -0.248 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.145 -2.077 -0.070 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.989 -1.549 -2.749 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.481 -1.546 -1.302 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.894 -2.811 -0.641 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.231 -2.684 -0.059 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.919 -3.300 0.365 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.108 -4.439 -0.271 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.003 -2.227 1.022 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.452 -1.219 0.088 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.948 -1.306 -1.302 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.201 -0.308 0.231 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.788 0.732 -0.482 0.00 0.00 +0.121 A ATOM 19 N LIG 1 5.117 1.004 -0.517 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 5.960 0.215 0.181 0.00 0.00 +0.121 A ATOM 21 C LIG 1 5.456 -0.836 0.942 0.00 0.00 +0.044 A ATOM 22 C LIG 1 4.083 -1.101 0.963 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 7.308 0.501 0.148 0.00 0.00 -0.315 N ATOM 24 C LIG 1 8.331 -0.525 0.320 0.00 0.00 +0.106 C ATOM 25 C LIG 1 9.498 -0.048 -0.546 0.00 0.00 +0.020 C ATOM 26 C LIG 1 9.289 1.456 -0.638 0.00 0.00 +0.020 C ATOM 27 C LIG 1 7.771 1.570 -0.731 0.00 0.00 +0.106 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -1.520 1.256 0.627 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.465 0.879 0.567 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.326 2.573 0.956 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.265 3.159 1.122 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.610 3.299 1.165 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.506 3.687 0.080 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.632 4.369 0.371 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.968 4.711 1.777 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.997 5.311 2.053 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.058 4.308 2.723 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.276 4.559 3.681 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.901 3.629 2.433 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.125 3.352 -1.329 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.248 2.021 -1.564 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.921 3.972 -2.241 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.854 3.703 -1.630 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6