REMARK Name = BDB026956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.330 1.474 -1.393 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 0.465 0.245 -1.375 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.563 -0.618 -0.775 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.753 -0.197 -0.088 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -2.436 -1.342 0.318 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.644 -1.298 1.029 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -4.198 -0.043 1.350 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -3.521 1.115 0.944 0.00 0.00 +0.009 A ATOM 9 N LIG 1 -1.705 -2.424 -0.110 0.00 0.00 -0.360 N ATOM 10 H LIG 1 -1.970 -3.389 0.038 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -2.314 1.055 0.233 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -0.575 -2.003 -0.761 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 -5.460 0.047 2.101 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.604 -0.652 1.710 0.00 0.00 +0.119 A ATOM 15 N LIG 1 -7.793 -0.623 2.361 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 -7.857 0.150 3.463 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -6.792 0.891 3.943 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -5.583 0.836 3.251 0.00 0.00 +0.011 A ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 1.740 -0.408 -1.977 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 1.476 -0.990 -3.360 0.00 0.00 -0.023 A ATOM 21 C LIG 1 0.750 -0.282 -4.333 0.00 0.00 +0.005 A ATOM 22 C LIG 1 0.524 -0.836 -5.594 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.028 -2.097 -5.904 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.768 -2.802 -4.958 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.996 -2.251 -3.697 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 2.843 0.582 -2.074 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.420 1.495 -2.264 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.687 0.661 -0.879 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.034 1.311 0.349 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.011 1.446 1.495 0.00 0.00 -0.046 A ATOM 31 C LIG 1 4.085 0.456 2.486 0.00 0.00 +0.006 A ATOM 32 C LIG 1 5.000 0.576 3.534 0.00 0.00 +0.038 A ATOM 33 C LIG 1 5.838 1.683 3.589 0.00 0.00 +0.123 A ATOM 34 F LIG 1 6.716 1.795 4.594 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.781 2.673 2.616 0.00 0.00 +0.038 A ATOM 36 C LIG 1 4.869 2.554 1.567 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8