REMARK Name = BDB009467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.251 -0.175 0.566 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.149 0.948 -0.255 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.030 1.199 -0.953 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.205 1.850 -0.374 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.385 1.639 0.338 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.514 0.525 1.178 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.443 -0.380 1.280 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.945 -1.044 -0.103 0.00 0.00 -0.308 N ATOM 9 H LIG 1 1.007 -0.228 -0.704 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.150 -1.165 0.728 0.00 0.00 +0.247 C ATOM 11 O LIG 1 -0.236 -2.043 1.581 0.00 0.00 -0.270 OA BRANCH 8 16 ATOM 12 C LIG 1 6.254 -0.764 -0.616 0.00 0.00 +0.403 C ATOM 13 N LIG 1 4.960 -1.163 -0.329 0.00 0.00 -0.267 N ATOM 14 C LIG 1 4.353 -2.239 -1.104 0.00 0.00 +0.113 C ATOM 15 C LIG 1 2.865 -1.991 -1.305 0.00 0.00 +0.041 C ATOM 16 C LIG 1 2.122 -1.897 0.035 0.00 0.00 +0.076 C ATOM 17 C LIG 1 3.022 -1.425 1.188 0.00 0.00 +0.041 C ATOM 18 C LIG 1 4.148 -0.522 0.703 0.00 0.00 +0.113 C ATOM 19 O LIG 1 6.959 -1.305 -1.458 0.00 0.00 -0.226 OA BRANCH 12 20 ATOM 20 O LIG 1 6.636 0.299 0.139 0.00 0.00 -0.445 OA BRANCH 20 22 ATOM 21 C LIG 1 8.165 1.464 -1.402 0.00 0.00 +0.055 C ATOM 22 C LIG 1 7.957 0.881 -0.000 0.00 0.00 +0.107 C ATOM 23 C LIG 1 9.052 -0.124 0.373 0.00 0.00 +0.055 C ATOM 24 C LIG 1 7.981 2.032 1.017 0.00 0.00 +0.055 C ENDBRANCH 20 22 ENDBRANCH 12 20 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 C LIG 1 -4.798 0.271 1.936 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -5.824 -0.471 1.090 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -6.850 0.312 0.311 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -6.979 1.694 0.436 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -6.735 2.050 1.356 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -8.134 2.377 -0.144 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -8.452 1.772 -1.508 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -8.655 0.256 -1.401 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -7.625 -0.400 -0.523 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -7.511 -1.874 -0.584 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -8.218 -2.545 -1.330 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.593 -2.441 0.258 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -6.490 -3.450 0.223 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.728 -1.769 1.065 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 6