REMARK Name = BDB018936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.089 0.226 -0.084 0.00 0.00 -0.006 A ATOM 2 C LIG 1 3.010 0.336 -0.973 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.698 0.207 -0.469 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.425 -0.029 0.890 0.00 0.00 +0.038 A ATOM 5 N LIG 1 0.096 -0.155 1.361 0.00 0.00 -0.300 N ATOM 6 C LIG 1 -0.076 -0.755 2.693 0.00 0.00 +0.111 C ATOM 7 C LIG 1 0.913 -0.147 3.677 0.00 0.00 +0.024 C ATOM 8 C LIG 1 2.331 -0.452 3.224 0.00 0.00 +0.038 C ATOM 9 C LIG 1 2.524 -0.151 1.760 0.00 0.00 -0.025 A ATOM 10 C LIG 1 3.837 -0.030 1.270 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.097 0.232 0.707 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -1.203 1.500 0.117 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -2.389 1.833 -0.504 0.00 0.00 +0.073 A ATOM 14 N LIG 1 -2.747 3.023 -1.153 0.00 0.00 -0.295 N ATOM 15 C LIG 1 -4.072 2.912 -1.617 0.00 0.00 +0.330 A ATOM 16 N LIG 1 -4.512 1.625 -1.247 0.00 0.00 -0.293 N ATOM 17 C LIG 1 -5.826 1.106 -1.489 0.00 0.00 +0.154 C ATOM 18 O LIG 1 -4.710 3.764 -2.216 0.00 0.00 -0.246 OA ATOM 19 C LIG 1 -1.901 4.171 -1.307 0.00 0.00 +0.154 C ATOM 20 C LIG 1 -3.477 0.957 -0.563 0.00 0.00 +0.091 A ATOM 21 C LIG 1 -3.424 -0.313 0.002 0.00 0.00 +0.057 A ATOM 22 C LIG 1 -2.209 -0.651 0.636 0.00 0.00 +0.048 A BRANCH 21 23 ATOM 23 N LIG 1 -4.494 -1.211 -0.096 0.00 0.00 -0.328 N ATOM 24 C LIG 1 -4.277 -2.254 -1.117 0.00 0.00 +0.105 C ATOM 25 C LIG 1 -5.071 -3.447 -0.597 0.00 0.00 +0.020 C ATOM 26 C LIG 1 -4.854 -3.346 0.901 0.00 0.00 +0.020 C ATOM 27 C LIG 1 -4.944 -1.844 1.157 0.00 0.00 +0.105 C ENDBRANCH 21 23 ENDBRANCH 5 11 BRANCH 1 32 ATOM 28 C LIG 1 8.846 -0.771 -1.029 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.565 -0.115 -0.926 0.00 0.00 -0.274 N ATOM 30 N LIG 1 7.426 1.142 -1.385 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 6.148 1.434 -1.128 0.00 0.00 +0.142 A ATOM 32 C LIG 1 5.464 0.359 -0.520 0.00 0.00 +0.020 A ATOM 33 C LIG 1 6.416 -0.631 -0.399 0.00 0.00 +0.116 A ENDBRANCH 1 32 BRANCH 2 34 ATOM 34 C LIG 1 3.207 0.592 -2.445 0.00 0.00 +0.372 C ATOM 35 F LIG 1 2.088 0.349 -3.190 0.00 0.00 -0.204 F ATOM 36 F LIG 1 3.536 1.889 -2.703 0.00 0.00 -0.204 F ENDBRANCH 2 34 TORSDOF 4