REMARK Name = BDB064109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.955 -0.450 0.334 0.00 0.00 +0.200 A ATOM 2 N LIG 1 2.819 -0.316 1.081 0.00 0.00 -0.306 N ATOM 3 C LIG 1 2.319 0.828 1.817 0.00 0.00 +0.144 C ATOM 4 C LIG 1 1.258 0.388 2.826 0.00 0.00 +0.130 C ATOM 5 N LIG 1 0.307 -0.522 2.188 0.00 0.00 -0.288 N ATOM 6 C LIG 1 0.886 -1.798 1.746 0.00 0.00 +0.184 C ATOM 7 C LIG 1 -0.847 0.025 1.633 0.00 0.00 +0.250 C ATOM 8 O LIG 1 -1.039 1.240 1.581 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.176 -1.532 1.041 0.00 0.00 +0.151 A ATOM 10 N LIG 1 2.901 -2.371 0.336 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 4.020 -1.696 -0.096 0.00 0.00 -0.126 NA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.890 -0.856 1.070 0.00 0.00 +0.072 A ATOM 13 C LIG 1 -2.352 -1.974 1.761 0.00 0.00 +0.135 A ATOM 14 F LIG 1 -1.834 -2.313 2.950 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -3.360 -2.768 1.224 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -3.932 -2.429 -0.004 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -3.512 -1.282 -0.696 0.00 0.00 -0.041 A ATOM 18 C LIG 1 -2.478 -0.504 -0.153 0.00 0.00 +0.020 A BRANCH 17 19 ATOM 19 C LIG 1 -4.135 -0.904 -2.022 0.00 0.00 +0.093 C BRANCH 19 20 ATOM 20 C LIG 1 -5.657 -0.837 -1.976 0.00 0.00 +0.074 A ATOM 21 C LIG 1 -6.334 0.343 -1.378 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -7.728 0.330 -1.354 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -8.444 1.401 -0.805 0.00 0.00 +0.014 A ATOM 24 C LIG 1 -7.759 2.492 -0.274 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -6.365 2.512 -0.295 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -8.446 -0.825 -1.917 0.00 0.00 +0.272 A ATOM 27 O LIG 1 -9.671 -0.878 -1.919 0.00 0.00 -0.266 OA ATOM 28 N LIG 1 -7.665 -1.828 -2.434 0.00 0.00 -0.242 N ATOM 29 H LIG 1 -8.145 -2.631 -2.830 0.00 0.00 +0.192 HD ATOM 30 C LIG 1 -5.651 1.442 -0.845 0.00 0.00 +0.010 A ATOM 31 N LIG 1 -6.307 -1.851 -2.469 0.00 0.00 -0.175 NA ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 12 BRANCH 1 34 ATOM 32 C LIG 1 6.940 1.333 -0.529 0.00 0.00 +0.164 A ATOM 33 O LIG 1 6.228 0.195 -0.305 0.00 0.00 -0.449 OA ATOM 34 C LIG 1 4.946 0.543 0.046 0.00 0.00 +0.173 A ATOM 35 C LIG 1 4.859 1.927 0.026 0.00 0.00 +0.054 A ATOM 36 C LIG 1 6.133 2.429 -0.333 0.00 0.00 +0.053 A BRANCH 32 38 ATOM 37 C LIG 1 8.677 0.528 -2.570 0.00 0.00 +0.088 C ATOM 38 P LIG 1 8.604 1.373 -1.003 0.00 0.00 +0.144 P ATOM 39 O LIG 1 9.170 2.766 -1.060 0.00 0.00 -0.314 OA ATOM 40 C LIG 1 9.461 0.323 0.152 0.00 0.00 +0.088 C ENDBRANCH 32 38 ENDBRANCH 1 34 TORSDOF 5