REMARK Name = BDB026135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.437 -0.630 0.215 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.445 0.481 0.255 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.811 0.324 -0.011 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.351 -0.941 -0.299 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.469 -2.031 -0.308 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.928 -3.267 -0.558 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.103 -1.885 -0.059 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.133 -3.131 1.813 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.256 -2.488 0.724 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.047 -2.129 -0.493 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.621 -3.324 -1.125 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.183 -1.372 -1.450 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.947 -0.917 -2.704 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.578 -0.102 -0.790 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.808 -0.401 0.434 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.530 -1.274 1.379 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.790 -1.103 -0.580 0.00 0.00 -0.014 A ATOM 18 C LIG 1 4.235 -1.805 -1.716 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.603 -1.957 -1.999 0.00 0.00 +0.072 A ATOM 20 C LIG 1 6.536 -1.397 -1.127 0.00 0.00 +0.136 A ATOM 21 F LIG 1 7.855 -1.512 -1.348 0.00 0.00 -0.205 F ATOM 22 C LIG 1 6.124 -0.697 0.002 0.00 0.00 +0.040 A ATOM 23 C LIG 1 4.761 -0.550 0.272 0.00 0.00 +0.011 A BRANCH 19 24 ATOM 24 C LIG 1 5.989 -2.707 -3.223 0.00 0.00 +0.244 C ATOM 25 O LIG 1 5.144 -3.163 -3.985 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 7.317 -2.879 -3.486 0.00 0.00 -0.325 N ATOM 27 H LIG 1 7.573 -3.384 -4.324 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 8.051 -2.512 -2.893 0.00 0.00 +0.145 HD ENDBRANCH 19 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -0.150 1.715 0.596 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.144 1.611 0.792 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.455 2.933 0.791 0.00 0.00 +0.250 C ATOM 32 O LIG 1 1.653 3.176 0.738 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -0.507 4.010 1.186 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -0.277 4.864 2.351 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -1.197 5.793 2.682 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -2.413 5.984 1.856 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -3.259 6.820 2.146 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.519 5.168 0.757 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.342 5.316 0.183 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.597 4.208 0.423 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 0.973 4.682 3.166 0.00 0.00 +0.372 C ATOM 42 F LIG 1 0.802 5.170 4.429 0.00 0.00 -0.204 F ATOM 43 F LIG 1 2.001 5.394 2.637 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6