REMARK Name = BDB031711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.161 1.906 -1.586 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.906 2.048 -0.208 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.684 1.591 0.299 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.310 1.034 -0.494 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.372 0.712 0.410 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.032 1.009 1.668 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.079 0.926 -1.877 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.181 1.564 1.568 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.625 1.894 2.417 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.150 1.364 -2.398 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.640 -1.339 0.609 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.208 -0.505 -0.428 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.968 0.611 -0.756 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.800 1.710 -1.769 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.484 2.347 -2.171 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.026 2.574 -1.580 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.767 2.009 -0.558 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.641 2.398 -0.239 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.287 3.578 -2.221 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.235 1.449 -3.136 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.163 0.853 -0.060 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.629 0.041 0.949 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.848 -1.068 1.281 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.648 -2.636 0.592 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.981 -2.453 1.058 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.521 0.127 -0.009 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -2.641 0.009 -1.006 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.781 0.132 0.634 0.00 0.00 +0.131 A ATOM 29 N LIG 1 -4.069 1.020 1.599 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 -5.278 0.940 2.170 0.00 0.00 +0.227 A ATOM 31 N LIG 1 -6.241 0.066 1.861 0.00 0.00 -0.201 NA ATOM 32 C LIG 1 -5.917 -0.809 0.899 0.00 0.00 +0.219 A ATOM 33 C LIG 1 -4.705 -0.821 0.247 0.00 0.00 +0.111 A BRANCH 32 34 ATOM 34 O LIG 1 -6.837 -1.752 0.485 0.00 0.00 -0.474 OA BRANCH 34 35 ATOM 35 C LIG 1 -7.996 -1.817 1.325 0.00 0.00 +0.258 C BRANCH 35 36 ATOM 36 C LIG 1 -8.920 -2.911 0.795 0.00 0.00 +0.196 C BRANCH 36 37 ATOM 37 O LIG 1 -8.366 -4.200 1.054 0.00 0.00 -0.392 OA ATOM 38 H LIG 1 -8.955 -4.852 0.638 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 8