REMARK Name = BDB010764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.069 -0.730 0.915 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.775 -1.216 1.086 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.515 -2.123 2.102 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.787 -2.518 2.103 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -1.360 -1.842 1.131 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.430 -2.565 2.977 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.635 -2.021 2.777 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.456 -1.011 0.498 0.00 0.00 -0.323 N ATOM 9 N LIG 1 2.988 -1.146 1.807 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.910 -2.011 0.819 0.00 0.00 +0.054 C ATOM 11 C LIG 1 -3.765 -2.560 1.958 0.00 0.00 +0.020 C ATOM 12 C LIG 1 -3.870 -1.118 1.584 0.00 0.00 +0.020 C BRANCH 10 13 ATOM 13 C LIG 1 -3.235 -2.524 -0.574 0.00 0.00 -0.034 A ATOM 14 C LIG 1 -3.916 -1.743 -1.526 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.197 -2.229 -2.805 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.803 -3.515 -3.163 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.131 -4.313 -2.243 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.853 -3.821 -0.965 0.00 0.00 +0.004 A ENDBRANCH 10 13 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 2.425 0.131 -0.124 0.00 0.00 -0.324 N ATOM 20 H LIG 1 2.141 -0.291 -1.002 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 3.980 1.765 0.826 0.00 0.00 +0.028 C ATOM 22 C LIG 1 3.820 0.601 -0.158 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 4.147 1.104 -1.579 0.00 0.00 +0.009 C ATOM 24 C LIG 1 5.639 1.415 -1.896 0.00 0.00 +0.005 C ATOM 25 C LIG 1 5.760 -0.003 -2.480 0.00 0.00 +0.001 C ATOM 26 C LIG 1 4.236 0.020 -2.694 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 27 ATOM 27 C LIG 1 3.715 -2.450 3.737 0.00 0.00 +0.375 C ATOM 28 O LIG 1 3.603 -3.224 4.673 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 4.918 -1.882 3.482 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 5.498 -2.251 4.179 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 -0.771 -0.087 -0.575 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -1.532 1.175 -0.132 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -1.955 2.004 -1.348 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -2.860 3.173 -0.946 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -2.462 3.856 0.375 0.00 0.00 -0.014 C ATOM 36 C LIG 1 -3.437 3.512 1.505 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -1.017 3.533 0.764 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.724 2.033 0.859 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 9