REMARK Name = BDB035601 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.044 0.686 1.022 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.350 1.065 1.360 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.770 1.803 2.231 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.249 0.396 0.411 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.628 0.461 0.327 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.266 -0.280 -0.680 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.487 -1.053 -1.575 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.083 -1.105 -1.480 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.483 -0.362 -0.466 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.036 -0.210 -0.126 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.617 1.054 1.810 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.409 0.676 1.192 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.152 1.081 1.684 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.128 1.875 2.835 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.311 2.241 3.481 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.542 1.832 2.977 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.001 0.653 1.290 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -4.217 3.440 -0.161 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.514 2.993 0.268 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.877 1.828 0.905 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.174 1.891 1.157 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.663 3.074 0.669 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.658 3.724 0.136 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.061 -0.508 0.240 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -6.391 -1.299 0.343 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -6.722 -2.123 -0.906 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -5.474 -2.528 -1.675 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -4.676 -1.310 -2.139 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -4.824 -0.092 -1.220 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.250 -1.919 -2.434 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.376 -1.146 -3.138 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.977 -2.604 -3.355 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.487 -2.842 -1.788 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.774 -0.222 -0.834 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.447 -0.574 0.418 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.036 -1.438 0.773 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.912 -0.627 0.269 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.483 -1.278 1.567 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.357 -2.169 0.658 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.325 -1.935 -0.466 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.566 0.684 -0.132 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8