REMARK Name = BDB025746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.770 -0.618 0.040 0.00 0.00 +0.021 A ATOM 2 C LIG 1 2.115 -1.847 -0.139 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.829 -2.978 -0.260 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.726 -1.946 -0.205 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.066 -0.802 -0.096 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.571 0.449 0.077 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.966 0.532 0.149 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.484 -0.836 -0.129 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.050 -1.474 -1.347 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.998 -2.680 -1.077 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.456 -2.230 -0.908 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -2.497 -3.534 0.009 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.117 -4.843 0.099 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.232 -2.833 1.282 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.245 -3.117 2.404 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.064 -1.288 1.155 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 22 ATOM 17 C LIG 1 7.094 1.624 -1.236 0.00 0.00 +0.047 C ATOM 18 C LIG 1 6.351 0.554 -0.491 0.00 0.00 -0.014 A ATOM 19 C LIG 1 7.004 -0.390 0.304 0.00 0.00 +0.143 A ATOM 20 N LIG 1 6.356 -1.367 0.985 0.00 0.00 -0.244 NA ATOM 21 C LIG 1 5.006 -1.409 0.869 0.00 0.00 +0.120 A ATOM 22 C LIG 1 4.240 -0.524 0.111 0.00 0.00 +0.003 A ATOM 23 C LIG 1 4.953 0.470 -0.577 0.00 0.00 +0.016 A BRANCH 19 24 ATOM 24 C LIG 1 8.436 -0.393 0.461 0.00 0.00 +0.119 C ATOM 25 N LIG 1 9.594 -0.359 0.560 0.00 0.00 -0.189 NA ENDBRANCH 19 24 ENDBRANCH 1 22 BRANCH 6 26 ATOM 26 N LIG 1 -0.292 1.563 0.146 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.268 1.285 0.038 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 0.034 2.885 0.302 0.00 0.00 +0.250 C ATOM 29 O LIG 1 1.148 3.364 0.469 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.163 3.775 0.309 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -2.031 3.988 -0.845 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -3.078 4.830 -0.732 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -3.354 5.531 0.547 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -4.313 6.282 0.663 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -2.470 5.280 1.565 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -2.644 5.775 2.433 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -1.395 4.432 1.457 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -1.711 3.297 -2.134 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -0.417 3.448 -2.502 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.959 1.965 -2.051 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.464 3.759 -3.167 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 6 26 TORSDOF 6