REMARK Name = BDB010090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.835 -1.359 -0.145 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.458 -1.521 -0.017 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.042 -2.552 0.758 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.401 -2.540 0.792 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.786 -1.513 0.049 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.713 -3.455 1.398 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.022 -3.260 1.201 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.672 -0.899 -0.515 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -2.601 -2.279 0.472 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.193 -1.123 -0.129 0.00 0.00 +0.107 A ATOM 11 N LIG 1 3.427 0.139 -0.553 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 4.718 0.515 -0.684 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.797 -0.310 -0.409 0.00 0.00 +0.023 A ATOM 14 C LIG 1 5.553 -1.612 0.035 0.00 0.00 -0.041 A ATOM 15 C LIG 1 4.220 -2.014 0.179 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.676 -2.575 0.368 0.00 0.00 +0.013 C ATOM 17 C LIG 1 7.547 -2.868 -0.856 0.00 0.00 +0.012 C ATOM 18 C LIG 1 7.528 -2.063 1.532 0.00 0.00 +0.012 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -2.420 -0.327 -0.865 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -1.853 0.511 -0.875 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -3.845 -0.030 -0.651 0.00 0.00 +0.075 C BRANCH 21 22 ATOM 22 C LIG 1 -3.985 1.085 0.396 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -3.500 0.764 1.842 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -4.636 1.672 2.349 0.00 0.00 +0.001 C ATOM 25 C LIG 1 -5.379 1.338 1.041 0.00 0.00 +0.005 C ENDBRANCH 21 22 BRANCH 21 27 ATOM 26 C LIG 1 -5.917 0.450 -2.099 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -4.397 0.427 -2.018 0.00 0.00 +0.019 C ENDBRANCH 21 27 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 7 28 ATOM 28 C LIG 1 -2.940 -4.242 1.881 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -2.616 -5.203 2.560 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.254 -3.977 1.685 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -4.709 -4.690 2.177 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.683 0.100 -1.580 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.352 1.504 -1.120 0.00 0.00 -0.028 A ATOM 34 C LIG 1 0.718 1.999 0.140 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.380 3.300 0.523 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.324 4.142 -0.348 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.659 3.664 -1.622 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.320 2.364 -2.004 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.671 5.554 0.058 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -1.835 5.995 -0.498 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.825 5.703 1.403 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.284 6.450 -0.313 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 11