REMARK Name = BDB010968 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.771 -1.238 -0.782 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.890 -1.959 0.059 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.549 -1.551 -0.025 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.147 -0.494 -0.908 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.204 -0.346 -0.746 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -0.581 -1.288 0.190 0.00 0.00 -0.239 N ATOM 7 C LIG 1 1.960 0.249 -1.768 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.479 -2.018 0.633 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 3.309 -0.186 -1.654 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.890 -1.542 0.696 0.00 0.00 +0.066 A ATOM 11 C LIG 1 -3.000 -0.802 0.257 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.309 -1.036 0.748 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.442 -2.060 1.707 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.348 -2.805 2.152 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.076 -2.548 1.649 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 -5.549 -0.150 0.224 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -5.841 -0.255 -1.315 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -7.352 -0.346 -1.024 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -8.180 0.904 -1.273 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -7.011 -0.666 0.446 0.00 0.00 +0.022 C BRANCH 16 21 ATOM 21 C LIG 1 -5.353 1.349 0.718 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.313 1.806 2.008 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.432 1.050 3.223 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.098 3.147 1.925 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.003 3.499 0.665 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.151 2.365 -0.096 0.00 0.00 -0.134 NA ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 27 ATOM 27 C LIG 1 1.541 1.358 -2.679 0.00 0.00 +0.418 C ATOM 28 F LIG 1 2.534 1.784 -3.510 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.125 2.463 -2.001 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.507 1.007 -3.494 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 5.250 -1.595 -0.781 0.00 0.00 +0.119 C BRANCH 31 34 ATOM 32 C LIG 1 8.486 0.424 -0.628 0.00 0.00 +0.078 C ATOM 33 C LIG 1 7.519 -0.758 -0.845 0.00 0.00 +0.101 C ATOM 34 N LIG 1 6.118 -0.438 -0.507 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 6.007 0.009 0.889 0.00 0.00 +0.085 C ATOM 36 C LIG 1 6.873 1.245 1.145 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.336 0.991 0.787 0.00 0.00 +0.019 C BRANCH 32 39 ATOM 38 C LIG 1 8.138 2.331 -2.482 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.293 1.478 -1.651 0.00 0.00 -0.101 C ENDBRANCH 32 39 ENDBRANCH 31 34 ENDBRANCH 1 31 TORSDOF 7