REMARK Name = BDB035606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.322 -1.275 -1.069 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.360 -0.751 0.035 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.044 -0.184 1.033 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.788 -1.016 -0.180 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.860 -0.673 0.625 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.143 -1.040 0.198 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.300 -1.731 -1.029 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.198 -2.074 -1.835 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.937 -1.699 -1.381 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.595 -1.914 -2.004 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.978 -0.494 -0.652 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.586 -0.529 -0.442 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.724 -1.230 -1.297 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.293 -1.891 -2.396 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.673 -1.868 -2.619 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.512 -1.178 -1.750 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.873 0.276 0.316 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -4.238 -1.597 2.726 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.512 -1.466 2.071 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.833 -0.658 1.009 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.101 -0.866 0.702 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.611 -1.798 1.573 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.644 -2.151 2.386 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.606 1.448 -0.381 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -6.371 2.357 0.590 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -6.615 3.638 -0.200 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -5.522 3.696 -1.264 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -4.663 2.454 -1.053 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.368 -2.802 -3.141 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.974 -2.047 -4.204 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.647 -3.184 -3.400 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.617 -3.937 -3.197 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.360 -0.677 1.022 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.112 0.394 0.367 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.462 1.147 0.141 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.274 0.827 1.162 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.806 1.697 2.363 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.873 2.733 1.949 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.801 2.148 0.522 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.329 -0.240 1.389 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8