REMARK Name = BDB061738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.083 -0.121 0.628 0.00 0.00 +0.054 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.389 0.137 0.837 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.343 -0.626 0.154 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.711 -0.383 0.328 0.00 0.00 +0.023 A ATOM 5 C LIG 1 3.147 0.623 1.189 0.00 0.00 +0.035 A ATOM 6 C LIG 1 2.192 1.393 1.865 0.00 0.00 +0.023 A ATOM 7 C LIG 1 0.825 1.153 1.692 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 N LIG 1 4.505 0.938 1.412 0.00 0.00 -0.269 N ATOM 9 H LIG 1 4.681 1.669 2.082 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 5.620 0.235 0.975 0.00 0.00 +0.308 C ATOM 11 N LIG 1 6.776 0.933 1.301 0.00 0.00 -0.269 N ATOM 12 H LIG 1 6.650 1.901 1.550 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 5.590 -0.838 0.389 0.00 0.00 -0.252 OA BRANCH 11 14 ATOM 14 C LIG 1 8.111 0.512 1.131 0.00 0.00 +0.035 A ATOM 15 C LIG 1 9.117 1.457 1.374 0.00 0.00 +0.023 A ATOM 16 C LIG 1 10.466 1.116 1.239 0.00 0.00 +0.002 A ATOM 17 C LIG 1 10.822 -0.175 0.863 0.00 0.00 +0.000 A ATOM 18 C LIG 1 9.830 -1.124 0.627 0.00 0.00 +0.002 A ATOM 19 C LIG 1 8.481 -0.783 0.763 0.00 0.00 +0.023 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -1.599 0.542 -0.656 0.00 0.00 +0.107 C BRANCH 20 21 ATOM 21 N LIG 1 -3.047 0.364 -0.813 0.00 0.00 -0.328 N ATOM 22 H LIG 1 -3.428 1.077 -1.432 0.00 0.00 +0.147 HD BRANCH 21 29 ATOM 23 C LIG 1 -7.222 -0.574 -1.261 0.00 0.00 +0.156 A ATOM 24 C LIG 1 -7.520 -1.824 -1.799 0.00 0.00 +0.167 A ATOM 25 F LIG 1 -8.797 -2.187 -1.991 0.00 0.00 -0.202 F ATOM 26 C LIG 1 -6.516 -2.724 -2.142 0.00 0.00 +0.070 A ATOM 27 C LIG 1 -5.180 -2.407 -1.967 0.00 0.00 +0.079 A ATOM 28 C LIG 1 -4.848 -1.148 -1.444 0.00 0.00 +0.044 A ATOM 29 C LIG 1 -3.468 -0.893 -1.307 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -2.541 -1.811 -1.625 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 -2.984 -2.977 -2.106 0.00 0.00 +0.223 A ATOM 32 N LIG 1 -4.262 -3.316 -2.302 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -5.881 -0.239 -1.085 0.00 0.00 +0.062 A BRANCH 23 34 ATOM 34 O LIG 1 -8.293 0.217 -0.955 0.00 0.00 -0.489 OA BRANCH 34 36 ATOM 35 C LIG 1 -9.362 2.144 -0.049 0.00 0.00 +0.048 C ATOM 36 C LIG 1 -8.030 1.472 -0.330 0.00 0.00 +0.226 C ENDBRANCH 34 36 ENDBRANCH 23 34 ENDBRANCH 21 29 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8