REMARK Name = BDB040157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.413 0.896 1.319 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.207 -0.063 0.511 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.255 -0.896 -0.246 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.655 0.084 0.706 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.681 -0.639 0.125 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.997 -0.306 0.473 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.230 0.751 1.388 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.174 1.477 1.970 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.879 1.117 1.607 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.570 1.693 2.042 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.167 0.488 0.898 0.00 0.00 -0.029 A ATOM 12 C LIG 1 2.759 0.313 0.795 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.812 1.114 1.459 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.295 2.141 2.273 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.664 2.356 2.409 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.577 1.545 1.732 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.201 -0.506 0.077 0.00 0.00 +0.113 C ATOM 18 C LIG 1 4.840 -0.755 -1.410 0.00 0.00 +0.180 C ATOM 19 O LIG 1 4.903 -2.187 -1.227 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 4.923 -2.026 0.214 0.00 0.00 +0.180 C BRANCH 17 21 ATOM 21 C LIG 1 6.681 -0.134 0.250 0.00 0.00 +0.321 C ATOM 22 F LIG 1 6.815 1.169 -0.155 0.00 0.00 -0.196 F ATOM 23 F LIG 1 6.952 -0.108 1.592 0.00 0.00 -0.196 F BRANCH 21 26 ATOM 24 C LIG 1 8.539 0.688 -2.153 0.00 0.00 +0.152 C ATOM 25 N LIG 1 8.515 -0.581 -1.475 0.00 0.00 -0.316 N ATOM 26 C LIG 1 7.723 -0.975 -0.423 0.00 0.00 +0.203 A ATOM 27 N LIG 1 8.084 -2.200 -0.080 0.00 0.00 -0.128 NA ATOM 28 N LIG 1 9.081 -2.616 -0.924 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 9.330 -1.635 -1.756 0.00 0.00 +0.225 A ENDBRANCH 21 26 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.424 2.604 2.934 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -2.790 2.410 4.124 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.962 3.795 2.462 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -4.736 2.797 3.234 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.166 -1.048 -0.137 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.881 -0.178 -1.069 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.247 0.083 -1.824 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.143 -0.771 -1.536 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -8.208 -0.697 -0.405 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -9.177 -0.093 -1.442 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.939 0.369 -2.239 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -6.997 -2.054 -2.333 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8