REMARK Name = BDB006491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.644 -3.456 -1.595 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.839 -2.011 -1.288 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.156 -1.097 -0.820 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.456 0.147 -0.651 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.256 1.265 -0.180 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.614 1.112 0.112 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.254 -0.114 -0.065 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.786 -0.003 -1.009 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.530 -1.228 -0.517 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.026 -1.304 -1.409 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.367 -1.783 -1.855 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.704 -0.209 0.260 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.426 -1.143 -0.455 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.011 -1.501 -1.304 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.196 0.538 1.099 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.877 -1.200 -0.375 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.337 -2.659 -0.341 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.478 -0.383 -1.510 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.743 0.983 -1.290 0.00 0.00 +0.012 A ATOM 20 C LIG 1 7.266 1.741 -2.324 0.00 0.00 -0.002 A ATOM 21 C LIG 1 7.572 3.187 -2.374 0.00 0.00 +0.080 C ATOM 22 C LIG 1 8.364 3.218 -3.682 0.00 0.00 +0.234 C ATOM 23 O LIG 1 8.008 2.066 -4.483 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 7.510 1.179 -3.564 0.00 0.00 +0.124 A ATOM 25 C LIG 1 7.240 -0.145 -3.828 0.00 0.00 +0.046 A ATOM 26 C LIG 1 6.720 -0.929 -2.793 0.00 0.00 +0.009 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.771 1.080 -1.012 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.750 0.991 0.136 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -5.128 1.034 -0.114 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -6.047 0.971 0.938 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.613 0.871 2.268 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -4.234 0.847 2.516 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.313 0.908 1.465 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -6.581 0.808 3.373 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.433 -0.293 3.592 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -8.399 -0.268 4.610 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -8.505 0.841 5.447 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.654 1.928 5.264 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.706 1.912 4.237 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.376 -1.518 2.771 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -8.326 -2.064 2.242 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.139 -2.040 2.745 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -6.219 -2.845 2.193 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8