REMARK Name = BDB010869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.546 -2.069 -0.042 0.00 0.00 +0.118 A ATOM 2 N LIG 1 -0.644 -1.113 -0.485 0.00 0.00 -0.323 N ATOM 3 C LIG 1 0.602 -1.442 0.014 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.360 -2.567 0.787 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.296 -3.235 1.478 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.511 -2.696 1.319 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.849 -1.622 0.584 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.904 -0.948 -0.098 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.950 -2.935 0.754 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.601 -3.374 2.055 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.318 -4.466 2.786 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.418 -4.903 2.902 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.467 -4.872 3.340 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.608 -5.836 4.075 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.467 -4.019 2.944 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.851 -3.042 2.095 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 N LIG 1 2.252 0.144 -0.874 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.502 0.801 -1.019 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 3.555 0.811 -0.746 0.00 0.00 +0.072 C ATOM 20 C LIG 1 4.710 -0.063 -1.231 0.00 0.00 +0.028 C BRANCH 19 21 ATOM 21 C LIG 1 3.817 1.360 0.656 0.00 0.00 +0.009 C ATOM 22 C LIG 1 2.808 2.420 1.182 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.005 3.120 1.856 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.898 2.472 0.779 0.00 0.00 +0.005 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 8 17 BRANCH 1 25 ATOM 25 C LIG 1 -3.005 -2.138 -0.425 0.00 0.00 +0.080 C BRANCH 25 27 ATOM 26 C LIG 1 -4.574 -3.153 -2.195 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -3.167 -3.103 -1.620 0.00 0.00 +0.010 C ENDBRANCH 25 27 BRANCH 25 28 ATOM 28 C LIG 1 -3.846 -2.552 0.796 0.00 0.00 +0.167 C BRANCH 28 29 ATOM 29 O LIG 1 -5.202 -2.144 0.624 0.00 0.00 -0.394 OA ATOM 30 H LIG 1 -5.690 -2.466 1.402 0.00 0.00 +0.209 HD ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 2 31 ATOM 31 C LIG 1 -0.946 -0.006 -1.377 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -1.067 1.362 -0.670 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -2.315 1.490 0.228 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -3.506 2.077 -0.522 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -3.216 3.497 -1.043 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -3.793 4.563 -0.110 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -1.714 3.747 -1.266 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.008 2.481 -1.732 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10