REMARK Name = BDB041082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.060 -0.528 -1.696 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -2.756 -0.431 -1.378 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.874 -1.196 -2.049 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -2.288 -2.064 -3.042 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -3.642 -2.092 -3.300 0.00 0.00 +0.129 A ATOM 6 N LIG 1 -4.544 -1.331 -2.658 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -5.066 0.523 0.408 0.00 0.00 -0.034 A ATOM 8 C LIG 1 -5.015 0.354 -1.002 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -5.930 1.088 -1.792 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -6.845 1.980 -1.232 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -6.867 2.164 0.142 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -5.988 1.446 0.952 0.00 0.00 +0.004 A BRANCH 7 14 ATOM 13 C LIG 1 -4.960 -0.981 2.461 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -4.167 -0.263 1.361 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -3.098 0.645 1.973 0.00 0.00 +0.012 C ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 4 16 ATOM 16 C LIG 1 -1.360 -2.957 -3.780 0.00 0.00 +0.422 C ATOM 17 F LIG 1 -1.899 -3.442 -4.937 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -0.988 -4.056 -3.068 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -0.204 -2.339 -4.161 0.00 0.00 -0.166 F ENDBRANCH 4 16 BRANCH 3 20 ATOM 20 N LIG 1 -0.516 -1.140 -1.690 0.00 0.00 -0.328 N ATOM 21 H LIG 1 0.056 -0.975 -2.517 0.00 0.00 +0.147 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.196 -0.214 -0.603 0.00 0.00 +0.106 C BRANCH 22 23 ATOM 23 C LIG 1 1.299 -0.291 -0.254 0.00 0.00 +0.009 C ATOM 24 C LIG 1 1.558 0.384 1.111 0.00 0.00 +0.024 C ATOM 25 C LIG 1 2.962 0.984 1.232 0.00 0.00 +0.108 C ATOM 26 N LIG 1 3.904 0.155 0.476 0.00 0.00 -0.301 N ATOM 27 C LIG 1 3.682 0.205 -0.982 0.00 0.00 +0.108 C ATOM 28 C LIG 1 2.193 0.342 -1.328 0.00 0.00 +0.024 C BRANCH 26 29 ATOM 29 C LIG 1 5.209 0.240 0.852 0.00 0.00 +0.198 A ATOM 30 N LIG 1 5.677 -0.368 1.993 0.00 0.00 -0.321 N ATOM 31 C LIG 1 4.928 -1.216 2.886 0.00 0.00 +0.151 C ATOM 32 C LIG 1 7.016 -0.104 2.097 0.00 0.00 +0.120 A ATOM 33 C LIG 1 7.337 0.639 0.974 0.00 0.00 +0.163 A ATOM 34 N LIG 1 6.194 0.824 0.208 0.00 0.00 -0.210 NA BRANCH 33 35 ATOM 35 C LIG 1 8.670 1.190 0.567 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.680 0.687 1.330 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.986 0.903 -0.723 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.729 2.541 0.700 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 8