REMARK Name = BDB010677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.941 -1.791 -0.285 0.00 0.00 +0.074 A ATOM 2 C LIG 1 -0.595 -1.400 -0.240 0.00 0.00 +0.111 A ATOM 3 C LIG 1 0.344 -2.110 -0.984 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.608 -1.662 -0.771 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.512 -0.734 0.146 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.060 -3.126 -1.813 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.235 -3.418 -1.838 0.00 0.00 +0.202 A ATOM 8 N LIG 1 0.174 -0.416 0.356 0.00 0.00 -0.309 N ATOM 9 N LIG 1 -2.227 -2.825 -1.132 0.00 0.00 -0.227 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -6.295 -0.128 -0.293 0.00 0.00 +0.007 C ATOM 11 C LIG 1 -5.086 0.407 0.477 0.00 0.00 -0.013 C ATOM 12 C LIG 1 -3.762 -0.024 -0.186 0.00 0.00 +0.013 C ATOM 13 C LIG 1 -3.145 -1.267 0.470 0.00 0.00 +0.040 C ATOM 14 C LIG 1 -2.943 -1.144 1.992 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -3.813 -0.056 2.622 0.00 0.00 +0.001 C ATOM 16 C LIG 1 -5.182 0.005 1.959 0.00 0.00 +0.003 C ENDBRANCH 1 13 BRANCH 7 17 ATOM 17 C LIG 1 -1.669 -4.518 -2.728 0.00 0.00 +0.220 A ATOM 18 N LIG 1 -2.970 -4.850 -2.765 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -3.718 -4.427 -2.242 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 -3.092 -5.859 -3.636 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -4.131 -6.425 -3.935 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -1.848 -6.149 -4.140 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -0.936 -5.239 -3.513 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 5 24 ATOM 24 N LIG 1 2.528 -0.040 0.724 0.00 0.00 -0.289 N ATOM 25 C LIG 1 3.820 0.103 -0.002 0.00 0.00 +0.132 C ATOM 26 C LIG 1 4.507 1.402 0.525 0.00 0.00 +0.187 C ATOM 27 O LIG 1 4.630 1.456 1.964 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 3.363 1.261 2.609 0.00 0.00 +0.179 C ATOM 29 C LIG 1 2.692 -0.055 2.183 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 4.723 -1.135 0.054 0.00 0.00 -0.025 A ATOM 31 C LIG 1 4.620 -2.106 -0.958 0.00 0.00 +0.005 A ATOM 32 C LIG 1 5.427 -3.246 -0.961 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.365 -3.437 0.047 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.493 -2.489 1.057 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.680 -1.350 1.060 0.00 0.00 +0.005 A ENDBRANCH 25 30 ENDBRANCH 5 24 BRANCH 8 36 ATOM 36 C LIG 1 -0.287 0.840 0.921 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 0.125 2.105 0.140 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.314 3.364 0.915 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -0.656 4.557 0.020 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.198 4.638 -1.249 0.00 0.00 -0.014 C ATOM 41 C LIG 1 1.649 5.005 -0.925 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.113 3.340 -2.072 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -0.418 2.132 -1.293 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 6