REMARK Name = BDB038942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.455 -0.107 2.136 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.629 -0.670 1.180 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.416 0.061 0.835 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.429 -0.711 -0.004 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.703 -2.020 -0.466 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.760 -2.725 -1.228 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.533 -2.157 -1.582 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.284 -0.855 -1.139 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.793 -0.005 -1.261 0.00 0.00 -0.311 N ATOM 10 C LIG 1 -0.478 1.183 -0.632 0.00 0.00 +0.199 A ATOM 11 N LIG 1 0.697 1.103 -0.055 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 3.998 -2.689 -0.078 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.194 -0.138 -0.369 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.092 -1.669 0.225 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.160 0.878 2.804 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.355 2.227 -0.584 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -1.515 2.992 -1.839 0.00 0.00 +0.108 C ATOM 18 C LIG 1 -1.083 4.447 -1.684 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -1.871 5.153 -0.581 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -2.226 4.214 0.573 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -1.256 3.039 0.645 0.00 0.00 +0.108 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.514 -0.219 3.247 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.640 -0.766 2.260 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.086 -0.341 -1.837 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 -3.156 -0.646 -0.763 0.00 0.00 +0.049 C BRANCH 25 26 ATOM 26 C LIG 1 -2.892 -1.997 -0.103 0.00 0.00 -0.039 A ATOM 27 C LIG 1 -2.322 -2.035 1.183 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -2.043 -3.256 1.792 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -1.505 -3.271 3.019 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -2.322 -4.446 1.136 0.00 0.00 +0.158 A ATOM 31 F LIG 1 -2.054 -5.621 1.722 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -2.880 -4.433 -0.137 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -3.163 -3.212 -0.757 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -4.573 -0.580 -1.352 0.00 0.00 +0.130 C BRANCH 34 35 ATOM 35 C LIG 1 -4.971 0.842 -1.627 0.00 0.00 +0.305 C ATOM 36 O LIG 1 -4.834 1.427 -2.688 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.486 1.459 -0.550 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -5.677 2.372 -0.851 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8