REMARK Name = BDB065262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.185 0.487 0.537 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.166 0.420 0.216 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.471 -0.933 0.253 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.773 -1.374 -0.026 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.757 -0.428 -0.342 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.430 0.934 -0.380 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.370 -1.668 0.576 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.133 1.385 -0.101 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.622 -0.815 0.751 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.103 -0.866 -0.645 0.00 0.00 +0.047 A ATOM 11 C LIG 1 6.237 -0.458 0.023 0.00 0.00 +0.142 A ATOM 12 C LIG 1 6.510 0.449 1.154 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.322 -1.072 -0.522 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 6.919 -1.906 -1.547 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 5.587 -1.786 -1.613 0.00 0.00 +0.088 A ATOM 16 C LIG 1 4.822 -2.559 -2.619 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -2.014 -1.242 1.139 0.00 0.00 +0.151 C ATOM 18 N LIG 1 -2.351 -2.552 0.584 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -2.151 -3.562 1.547 0.00 0.00 +0.255 C ATOM 20 O LIG 1 -2.271 -4.773 1.420 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 -1.758 -2.905 2.852 0.00 0.00 +0.254 C ATOM 22 F LIG 1 -0.433 -3.000 3.132 0.00 0.00 -0.236 F ATOM 23 C LIG 1 -2.136 -1.453 2.646 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 -2.750 -2.772 -0.769 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -3.241 -4.014 -1.200 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -3.642 -4.208 -2.523 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -4.120 -5.404 -2.896 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -3.561 -3.177 -3.443 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -3.950 -3.362 -4.712 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -3.077 -1.939 -3.051 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -2.677 -1.742 -1.723 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -2.538 4.076 0.651 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -2.729 3.093 1.807 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -1.579 2.082 1.926 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.936 1.743 0.571 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.930 1.899 -0.586 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -2.468 3.335 -0.695 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -1.290 6.080 0.328 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -1.309 4.772 0.890 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5