REMARK Name = BDB032335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.587 -3.749 -0.162 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.108 -2.373 0.204 0.00 0.00 -0.041 A ATOM 3 C LIG 1 0.936 -1.439 0.844 0.00 0.00 -0.009 A ATOM 4 C LIG 1 0.396 -0.179 1.094 0.00 0.00 +0.118 A ATOM 5 N LIG 1 -0.863 0.202 0.776 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -1.648 -0.704 0.164 0.00 0.00 +0.122 A ATOM 7 C LIG 1 -1.193 -1.985 -0.142 0.00 0.00 +0.047 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 -2.976 -0.363 -0.200 0.00 0.00 -0.304 N ATOM 9 C LIG 1 -3.838 -0.292 1.027 0.00 0.00 +0.140 C ATOM 10 C LIG 1 -4.219 -1.710 1.475 0.00 0.00 +0.036 C ATOM 11 C LIG 1 -5.102 0.500 0.798 0.00 0.00 +0.154 A ATOM 12 N LIG 1 -6.134 0.682 1.593 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -7.034 1.493 0.937 0.00 0.00 -0.125 NA ATOM 14 C LIG 1 -6.533 1.802 -0.246 0.00 0.00 +0.238 A ATOM 15 N LIG 1 -5.308 1.205 -0.356 0.00 0.00 -0.305 N ATOM 16 C LIG 1 -4.356 1.249 -1.445 0.00 0.00 +0.144 C ATOM 17 C LIG 1 -2.949 0.922 -0.936 0.00 0.00 +0.129 C BRANCH 14 18 ATOM 18 C LIG 1 -7.129 2.641 -1.311 0.00 0.00 +0.452 C ATOM 19 F LIG 1 -6.423 3.789 -1.492 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -7.115 2.001 -2.513 0.00 0.00 -0.163 F ATOM 21 F LIG 1 -8.414 2.999 -1.071 0.00 0.00 -0.163 F ENDBRANCH 14 18 ENDBRANCH 6 8 BRANCH 3 22 ATOM 22 C LIG 1 2.356 -1.727 1.258 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 3.247 -1.906 0.103 0.00 0.00 -0.339 N ATOM 24 H LIG 1 4.035 -2.492 0.365 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 3.734 -0.678 -0.421 0.00 0.00 +0.035 A ATOM 26 C LIG 1 4.894 -0.024 0.091 0.00 0.00 +0.008 A ATOM 27 C LIG 1 5.277 1.229 -0.450 0.00 0.00 +0.023 A ATOM 28 C LIG 1 6.437 1.853 0.074 0.00 0.00 +0.124 A ATOM 29 N LIG 1 7.184 1.320 1.056 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 6.802 0.134 1.555 0.00 0.00 +0.113 A ATOM 31 C LIG 1 4.487 1.799 -1.476 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.348 1.161 -1.957 0.00 0.00 +0.003 A ATOM 33 C LIG 1 5.691 -0.562 1.118 0.00 0.00 +0.030 A ATOM 34 C LIG 1 2.973 -0.066 -1.427 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 6.884 3.094 -0.410 0.00 0.00 -0.343 N ATOM 36 H LIG 1 6.156 3.788 -0.276 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 7.083 3.013 -1.402 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6