REMARK Name = BDB013929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.323 -0.314 -0.628 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.254 -0.415 0.473 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.554 -0.131 1.642 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.078 -0.632 0.094 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.461 -1.915 -0.462 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.189 -2.488 -1.572 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.245 -3.736 -2.073 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.309 -4.421 -1.498 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.964 -3.864 -0.415 0.00 0.00 +0.002 A ATOM 10 C LIG 1 1.299 -1.812 -2.329 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.546 -2.630 0.091 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.508 -1.575 -1.447 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.577 0.740 -0.625 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.581 0.054 0.030 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.578 0.002 1.045 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 4.519 0.963 -1.835 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.802 1.127 0.247 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.416 1.841 1.542 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.432 3.275 -0.799 0.00 0.00 +0.101 C ATOM 20 N LIG 1 6.795 1.882 -0.558 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 6.845 1.417 -1.470 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -1.033 0.065 0.975 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -2.349 0.468 0.323 0.00 0.00 -0.019 A ATOM 24 C LIG 1 -3.554 0.590 1.066 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -4.716 0.971 0.357 0.00 0.00 +0.072 A ATOM 26 C LIG 1 -5.920 1.083 1.037 0.00 0.00 +0.029 A ATOM 27 C LIG 1 -6.023 0.842 2.408 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -4.891 0.486 3.141 0.00 0.00 +0.056 A ATOM 29 N LIG 1 -4.721 1.239 -0.956 0.00 0.00 -0.243 NA ATOM 30 C LIG 1 -3.558 1.167 -1.655 0.00 0.00 +0.145 A ATOM 31 C LIG 1 -3.668 0.358 2.462 0.00 0.00 +0.022 A ATOM 32 C LIG 1 -2.367 0.793 -1.044 0.00 0.00 +0.038 A BRANCH 28 33 ATOM 33 C LIG 1 -4.977 0.208 4.622 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -6.070 0.760 5.215 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -3.900 0.682 5.308 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -5.034 -1.125 4.891 0.00 0.00 -0.166 F ENDBRANCH 28 33 BRANCH 30 37 ATOM 37 C LIG 1 -3.561 1.467 -3.149 0.00 0.00 +0.434 C ATOM 38 F LIG 1 -3.527 0.334 -3.909 0.00 0.00 -0.164 F ATOM 39 F LIG 1 -4.645 2.174 -3.576 0.00 0.00 -0.164 F ATOM 40 F LIG 1 -2.472 2.196 -3.536 0.00 0.00 -0.164 F ENDBRANCH 30 37 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7