REMARK Name = BDB035519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.297 1.096 0.303 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.850 1.889 0.196 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.993 3.059 -0.106 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.994 1.033 0.532 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.337 1.364 0.569 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.256 0.361 0.913 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.780 -0.934 1.227 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.408 -1.255 1.188 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.526 -0.240 0.829 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.037 -0.269 0.695 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.038 0.970 -0.033 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.700 0.600 0.213 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.637 1.506 0.062 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.951 2.811 -0.334 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.273 3.197 -0.577 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.312 2.284 -0.429 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.176 -0.035 0.131 0.00 0.00 +0.092 C BRANCH 17 20 ATOM 18 C LIG 1 -5.830 -0.346 -2.908 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.232 -1.347 -2.066 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.930 -1.250 -0.731 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.375 -2.386 -0.348 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.320 -3.226 -1.433 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.837 -2.589 -2.456 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.385 -0.442 1.620 0.00 0.00 +0.032 C ATOM 25 C LIG 1 -6.673 -1.241 1.800 0.00 0.00 +0.164 C ATOM 26 O LIG 1 -7.731 -0.272 1.892 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -7.166 0.970 2.337 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -5.684 0.731 2.545 0.00 0.00 +0.035 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.910 -2.639 1.507 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.342 -3.242 0.429 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.885 -3.483 1.943 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.957 -2.632 2.479 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.738 0.670 0.971 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.304 1.063 -0.319 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.623 1.591 -0.861 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.964 -0.024 -1.052 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.833 0.653 -2.155 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.984 -0.284 -1.732 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.302 -0.398 -0.353 0.00 0.00 +0.022 C ATOM 40 C LIG 1 6.051 -1.131 -1.543 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8