REMARK Name = BDB010160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.332 -0.532 1.361 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.997 -0.395 1.745 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.376 -1.402 2.464 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.910 -1.089 2.771 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.122 0.102 2.262 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.967 -2.548 2.837 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.253 -2.592 2.445 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.020 0.576 1.635 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.941 -1.665 1.752 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.260 0.846 2.387 0.00 0.00 -0.300 N ATOM 11 C LIG 1 3.062 1.080 1.168 0.00 0.00 +0.116 C ATOM 12 C LIG 1 3.942 -0.143 0.835 0.00 0.00 +0.036 C ATOM 13 C LIG 1 4.857 -0.469 2.027 0.00 0.00 +0.011 C ATOM 14 C LIG 1 4.035 -0.655 3.303 0.00 0.00 +0.020 C ATOM 15 C LIG 1 3.106 0.535 3.559 0.00 0.00 +0.108 C BRANCH 12 16 ATOM 16 C LIG 1 4.717 0.062 -0.454 0.00 0.00 -0.043 A ATOM 17 C LIG 1 4.462 -0.770 -1.556 0.00 0.00 +0.004 A ATOM 18 C LIG 1 5.149 -0.593 -2.758 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.100 0.418 -2.876 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.366 1.250 -1.791 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.680 1.074 -0.588 0.00 0.00 +0.004 A ENDBRANCH 12 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -3.018 0.430 0.640 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.416 0.925 -0.007 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -5.420 -0.068 1.085 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -4.335 0.169 0.039 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.282 -0.872 -1.085 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.413 -2.404 -0.833 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.133 -2.490 -2.195 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.541 -1.018 -1.990 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.979 -3.851 2.837 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -4.139 -4.123 2.577 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -2.159 -4.686 3.538 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -1.267 -4.277 3.636 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.212 1.933 1.141 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 -0.307 2.052 -0.369 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.861 3.227 -0.903 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.978 3.403 -2.284 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.528 2.415 -3.169 0.00 0.00 +0.055 A ATOM 39 C LIG 1 0.029 1.243 -2.642 0.00 0.00 +0.013 A ATOM 40 C LIG 1 0.145 1.066 -1.260 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -0.673 2.594 -4.661 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -1.872 2.139 -5.119 0.00 0.00 -0.166 F ATOM 43 F LIG 1 0.278 1.932 -5.377 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.593 3.897 -5.052 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10