REMARK Name = BDB010180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.788 -1.299 0.220 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.429 -1.303 -0.086 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.362 -2.382 0.274 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.657 -2.219 -0.111 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.687 -1.074 -0.752 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.088 -3.474 0.912 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.413 -3.404 1.141 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.449 -0.458 -0.732 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.258 -2.402 0.828 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.761 -0.509 -1.377 0.00 0.00 -0.294 N ATOM 11 C LIG 1 4.045 -0.641 -0.628 0.00 0.00 +0.106 C ATOM 12 C LIG 1 5.257 -0.533 -1.572 0.00 0.00 +0.027 C ATOM 13 C LIG 1 5.234 -1.639 -2.626 0.00 0.00 +0.004 C ATOM 14 C LIG 1 3.815 -1.977 -3.080 0.00 0.00 +0.019 C ATOM 15 C LIG 1 2.854 -0.822 -2.820 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 4.111 0.422 0.462 0.00 0.00 -0.027 A ATOM 17 C LIG 1 4.137 0.039 1.812 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.200 0.998 2.825 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.233 2.353 2.502 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.195 2.751 1.167 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.130 1.793 0.154 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.625 -0.238 -0.089 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.168 0.645 0.116 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.176 -0.154 1.854 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -4.033 -0.213 0.335 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.880 -1.336 -0.263 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -6.416 -1.092 -0.314 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.416 -1.831 -1.667 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -4.941 -1.407 -1.816 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -1.987 -4.607 1.839 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -3.153 -4.766 2.156 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -1.017 -5.534 2.088 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -0.148 -5.208 1.752 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 0.136 0.824 -1.349 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 -0.132 1.941 -0.364 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -1.019 2.968 -0.727 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -1.281 4.030 0.142 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.652 4.099 1.392 0.00 0.00 +0.055 A ATOM 39 C LIG 1 0.249 3.087 1.748 0.00 0.00 +0.013 A ATOM 40 C LIG 1 0.509 2.025 0.879 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -0.908 5.247 2.337 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -1.248 4.830 3.588 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.917 6.069 1.933 0.00 0.00 -0.166 F ATOM 44 F LIG 1 0.184 6.046 2.492 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10