REMARK Name = BDB041109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.148 -2.384 -0.484 0.00 0.00 +0.179 A ATOM 2 C LIG 1 -1.832 -1.099 -0.946 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -2.627 -0.044 -0.648 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.709 -0.249 0.123 0.00 0.00 +0.162 A ATOM 5 N LIG 1 -4.094 -1.442 0.599 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -3.299 -2.479 0.276 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.566 0.908 0.427 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -4.091 2.109 1.017 0.00 0.00 -0.034 A ATOM 9 C LIG 1 -4.995 3.176 1.212 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -6.342 3.062 0.870 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -6.818 1.879 0.324 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.939 0.818 0.106 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -2.637 2.280 1.452 0.00 0.00 +0.014 C ATOM 14 C LIG 1 -2.510 2.741 2.910 0.00 0.00 +0.012 C ATOM 15 C LIG 1 -1.897 3.240 0.518 0.00 0.00 +0.012 C ENDBRANCH 8 13 ENDBRANCH 4 7 BRANCH 2 16 ATOM 16 N LIG 1 -0.712 -0.830 -1.738 0.00 0.00 -0.315 N ATOM 17 C LIG 1 -0.734 0.439 -2.460 0.00 0.00 +0.131 C BRANCH 16 18 ATOM 18 C LIG 1 0.603 -1.392 -1.408 0.00 0.00 +0.110 C BRANCH 18 19 ATOM 19 C LIG 1 1.039 -1.206 0.065 0.00 0.00 +0.009 C ATOM 20 C LIG 1 2.405 -1.875 0.312 0.00 0.00 +0.024 C ATOM 21 C LIG 1 3.563 -1.094 -0.312 0.00 0.00 +0.108 C ATOM 22 N LIG 1 3.551 0.299 0.172 0.00 0.00 -0.301 N ATOM 23 C LIG 1 2.289 0.999 -0.134 0.00 0.00 +0.108 C ATOM 24 C LIG 1 1.123 0.260 0.517 0.00 0.00 +0.024 C BRANCH 22 25 ATOM 25 C LIG 1 4.673 0.999 -0.158 0.00 0.00 +0.198 A ATOM 26 N LIG 1 5.168 1.996 0.648 0.00 0.00 -0.321 N ATOM 27 C LIG 1 4.654 2.399 1.933 0.00 0.00 +0.151 C ATOM 28 C LIG 1 6.290 2.504 0.052 0.00 0.00 +0.120 A ATOM 29 C LIG 1 6.465 1.765 -1.106 0.00 0.00 +0.163 A ATOM 30 N LIG 1 5.449 0.823 -1.203 0.00 0.00 -0.210 NA BRANCH 29 31 ATOM 31 C LIG 1 7.543 1.888 -2.140 0.00 0.00 +0.436 C ATOM 32 F LIG 1 8.552 2.704 -1.726 0.00 0.00 -0.164 F ATOM 33 F LIG 1 8.117 0.694 -2.446 0.00 0.00 -0.164 F ATOM 34 F LIG 1 7.079 2.416 -3.304 0.00 0.00 -0.164 F ENDBRANCH 29 31 ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 2 16 BRANCH 1 35 ATOM 35 O LIG 1 -1.357 -3.436 -0.845 0.00 0.00 -0.484 OA BRANCH 35 37 ATOM 36 C LIG 1 -2.475 -5.571 -1.022 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -1.521 -4.705 -0.206 0.00 0.00 +0.168 C ATOM 38 C LIG 1 -0.139 -5.354 -0.158 0.00 0.00 +0.051 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 9