REMARK Name = BDB009933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.288 2.249 1.044 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.481 1.372 0.338 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.675 1.174 1.065 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.504 1.975 2.183 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.417 2.118 3.154 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.525 1.415 2.911 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.789 0.599 1.853 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.847 0.440 0.900 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.701 2.610 2.168 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -1.571 5.023 0.058 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.730 4.062 0.093 0.00 0.00 -0.040 A ATOM 12 C LIG 1 -2.586 2.749 0.585 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.706 1.904 0.640 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -4.951 2.345 0.193 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.093 3.636 -0.304 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.991 4.492 -0.348 0.00 0.00 +0.004 A ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 3.650 1.508 3.909 0.00 0.00 +0.375 C ATOM 18 O LIG 1 3.653 2.148 4.945 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 4.711 0.754 3.497 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 4.491 0.332 2.634 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 2.063 -0.408 -0.181 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.216 -0.916 -0.413 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.224 -1.297 -0.140 0.00 0.00 +0.072 C ATOM 24 C LIG 1 4.473 -0.564 -0.630 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 2.927 -2.465 -1.053 0.00 0.00 +0.009 C ATOM 26 C LIG 1 3.517 -3.825 -0.775 0.00 0.00 +0.005 C ATOM 27 C LIG 1 2.043 -3.596 -0.584 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 28 ATOM 28 C LIG 1 -0.755 0.873 -1.004 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 -1.157 -0.587 -1.063 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -1.657 -1.303 0.035 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -2.011 -2.650 -0.091 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -1.893 -3.309 -1.322 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -1.403 -2.596 -2.423 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.046 -1.251 -2.296 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -2.248 -4.771 -1.452 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -3.183 -5.179 -0.550 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -2.747 -5.090 -2.678 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.167 -5.577 -1.265 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 9