REMARK Name = BDB039130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.983 -0.656 1.204 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.085 -0.043 0.348 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.662 -0.370 0.394 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.782 0.521 -0.446 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.312 1.569 -1.233 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.467 2.398 -1.984 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.083 2.205 -2.007 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.571 1.152 -1.240 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.709 0.670 -1.021 0.00 0.00 -0.319 N ATOM 10 C LIG 1 -0.617 -0.409 -0.159 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.641 -0.623 0.173 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.797 1.835 -1.213 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.386 0.326 -0.475 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.586 0.576 -0.868 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.201 -0.573 1.096 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.771 -1.234 0.344 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.616 -2.710 -0.075 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -2.337 -3.687 0.859 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -3.545 -3.050 1.532 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -3.152 -1.839 2.380 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.908 -1.109 1.865 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 6.254 -2.013 3.096 0.00 0.00 +0.282 C ATOM 23 O LIG 1 5.363 -1.369 2.185 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.917 1.184 -1.698 0.00 0.00 +0.129 C BRANCH 24 25 ATOM 25 C LIG 1 -2.950 1.708 -0.699 0.00 0.00 -0.024 A ATOM 26 C LIG 1 -2.533 2.515 0.379 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -3.448 3.019 1.306 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.803 2.744 1.166 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.242 1.975 0.093 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.327 1.468 -0.835 0.00 0.00 +0.006 A ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 -2.355 0.153 -2.750 0.00 0.00 +0.150 C BRANCH 31 32 ATOM 32 C LIG 1 -2.823 0.861 -3.989 0.00 0.00 +0.307 C ATOM 33 O LIG 1 -3.968 1.248 -4.157 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -1.849 1.063 -4.902 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 -0.974 0.683 -4.685 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 9 24 TORSDOF 7