REMARK Name = BDB035486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.883 0.748 0.596 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.294 1.383 1.006 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.491 2.487 1.479 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.395 0.441 0.767 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.746 0.614 1.007 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.609 -0.443 0.692 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.080 -1.634 0.137 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.701 -1.795 -0.101 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.870 -0.728 0.228 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.613 -0.594 0.092 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.617 1.036 0.236 0.00 0.00 -0.021 A ATOM 12 C LIG 1 -3.298 0.536 0.200 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -2.197 1.290 0.644 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.449 2.576 1.130 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.747 3.093 1.176 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.823 2.330 0.735 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 -5.811 0.218 -0.240 0.00 0.00 +0.146 C BRANCH 17 20 ATOM 18 C LIG 1 -6.673 -0.789 2.609 0.00 0.00 +0.067 C ATOM 19 C LIG 1 -6.119 -1.621 1.521 0.00 0.00 +0.057 A ATOM 20 N LIG 1 -5.751 -1.156 0.281 0.00 0.00 -0.241 N ATOM 21 N LIG 1 -5.265 -2.156 -0.481 0.00 0.00 -0.065 NA ATOM 22 N LIG 1 -5.309 -3.270 0.233 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.828 -2.966 1.457 0.00 0.00 +0.159 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.037 0.277 -1.750 0.00 0.00 +0.069 C ATOM 25 C LIG 1 -4.950 -0.084 -2.777 0.00 0.00 +0.168 C ATOM 26 O LIG 1 -5.322 1.057 -3.597 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -6.045 1.630 -2.478 0.00 0.00 +0.168 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.141 -3.062 -0.690 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.239 -3.655 0.139 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.480 -2.836 -1.858 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.081 -4.006 -0.963 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.101 -0.309 0.913 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.791 -0.169 -0.370 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.324 0.566 -0.903 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.239 0.043 -0.203 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.802 0.473 -1.592 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.570 1.594 -0.860 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.517 1.500 0.264 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.982 -1.102 0.462 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8