REMARK Name = BDB016721 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.436 1.794 1.605 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.144 1.013 2.739 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.875 0.433 2.846 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.878 0.596 1.893 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.771 -0.175 2.373 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -1.060 -0.739 3.559 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.148 1.416 0.782 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.319 -0.359 3.811 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.751 -0.677 4.671 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.417 2.002 0.660 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.554 -0.962 -1.932 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.707 -0.234 -0.747 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.384 0.979 -0.782 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.709 2.007 0.266 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.801 2.417 1.410 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.495 3.058 -0.483 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.568 2.649 -1.802 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.046 3.180 -2.513 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.965 4.070 0.009 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -7.064 1.620 1.672 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.921 1.427 -1.999 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.806 0.727 -3.180 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.110 -0.482 -3.135 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.163 -2.599 -0.913 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.892 -2.155 -2.052 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.535 -0.381 1.745 0.00 0.00 +0.003 A ATOM 27 C LIG 1 0.658 -0.568 0.368 0.00 0.00 +0.012 A ATOM 28 C LIG 1 1.919 -0.760 -0.216 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.101 -0.779 0.544 0.00 0.00 +0.030 A ATOM 30 C LIG 1 2.951 -0.610 1.929 0.00 0.00 +0.024 A ATOM 31 C LIG 1 1.694 -0.415 2.522 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 4.342 -0.975 -0.051 0.00 0.00 -0.330 N ATOM 33 C LIG 1 4.566 -0.529 -1.430 0.00 0.00 +0.106 C ATOM 34 C LIG 1 6.016 -0.094 -1.632 0.00 0.00 +0.038 C ATOM 35 C LIG 1 6.978 -1.260 -1.346 0.00 0.00 +0.059 C ATOM 36 C LIG 1 6.526 -2.097 -0.132 0.00 0.00 +0.038 C ATOM 37 C LIG 1 5.507 -1.373 0.744 0.00 0.00 +0.106 C BRANCH 35 38 ATOM 38 N LIG 1 8.412 -0.898 -1.268 0.00 0.00 -0.305 NA ATOM 39 C LIG 1 8.745 0.052 -0.207 0.00 0.00 +0.104 C ATOM 40 C LIG 1 8.937 -0.426 -2.550 0.00 0.00 +0.104 C ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5