REMARK Name = BDB061894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.526 -1.860 -2.853 0.00 0.00 +0.111 A ATOM 2 C LIG 1 -0.754 -2.921 -3.706 0.00 0.00 +0.167 A ATOM 3 F LIG 1 -1.976 -3.387 -3.994 0.00 0.00 -0.202 F ATOM 4 C LIG 1 0.351 -3.487 -4.292 0.00 0.00 +0.155 A ATOM 5 N LIG 1 1.613 -3.067 -4.072 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 1.767 -2.037 -3.221 0.00 0.00 +0.221 A ATOM 7 N LIG 1 0.736 -1.412 -2.631 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 14 ATOM 8 N LIG 1 -5.780 0.443 0.405 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -4.654 1.139 -0.056 0.00 0.00 +0.247 C ATOM 10 O LIG 1 -4.493 2.348 0.078 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -3.600 0.343 -0.755 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -3.817 -0.997 -1.095 0.00 0.00 -0.033 A ATOM 13 C LIG 1 -2.821 -1.713 -1.785 0.00 0.00 +0.014 A ATOM 14 C LIG 1 -1.591 -1.123 -2.134 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -1.397 0.221 -1.756 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -5.133 -1.639 -0.766 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.386 0.948 -1.085 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -5.718 -1.013 0.495 0.00 0.00 +0.113 C BRANCH 8 20 ATOM 19 C LIG 1 -7.470 2.284 0.488 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -6.791 1.129 1.228 0.00 0.00 +0.070 C ATOM 21 C LIG 1 -6.234 1.578 2.580 0.00 0.00 +0.028 C ENDBRANCH 8 20 ENDBRANCH 1 14 BRANCH 6 22 ATOM 22 N LIG 1 3.077 -1.600 -3.050 0.00 0.00 -0.268 N ATOM 23 H LIG 1 3.680 -2.270 -3.504 0.00 0.00 +0.156 HD BRANCH 22 24 ATOM 24 C LIG 1 3.644 -1.072 -1.880 0.00 0.00 +0.125 A ATOM 25 N LIG 1 2.976 -1.064 -0.716 0.00 0.00 -0.238 NA ATOM 26 C LIG 1 3.587 -0.522 0.372 0.00 0.00 +0.136 A ATOM 27 C LIG 1 4.866 0.037 0.407 0.00 0.00 +0.048 A ATOM 28 C LIG 1 5.533 -0.000 -0.819 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.930 -0.546 -1.959 0.00 0.00 +0.045 A BRANCH 27 30 ATOM 30 N LIG 1 5.450 0.563 1.547 0.00 0.00 -0.326 N ATOM 31 C LIG 1 6.488 1.605 1.445 0.00 0.00 +0.120 C ATOM 32 C LIG 1 6.449 2.572 2.651 0.00 0.00 +0.100 C ATOM 33 N LIG 1 6.540 1.939 3.977 0.00 0.00 -0.313 NA ATOM 34 H LIG 1 7.521 1.813 4.227 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 5.889 0.616 3.987 0.00 0.00 +0.100 C ATOM 36 C LIG 1 4.840 0.380 2.875 0.00 0.00 +0.120 C ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 5