REMARK Name = BDB002760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.459 -0.169 0.834 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -1.411 -0.891 1.586 0.00 0.00 +0.100 C ATOM 3 C LIG 1 0.012 -0.544 1.099 0.00 0.00 +0.100 C ATOM 4 N LIG 1 0.262 -0.981 -0.292 0.00 0.00 -0.300 NA ATOM 5 C LIG 1 -0.986 -0.962 -1.086 0.00 0.00 +0.100 C ATOM 6 C LIG 1 -2.059 0.027 -0.577 0.00 0.00 +0.100 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.748 -0.873 0.962 0.00 0.00 +0.121 C BRANCH 7 10 ATOM 8 CL LIG 1 -5.819 -1.962 -1.175 0.00 0.00 -0.083 Cl ATOM 9 C LIG 1 -5.903 -0.435 -0.369 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -4.935 -0.019 0.558 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -5.099 1.240 1.169 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -6.184 2.061 0.855 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -7.130 1.636 -0.071 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -6.990 0.390 -0.682 0.00 0.00 +0.020 A ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 4 15 ATOM 15 C LIG 1 1.325 -0.195 -0.937 0.00 0.00 +0.085 C BRANCH 15 16 ATOM 16 C LIG 1 2.683 -0.335 -0.236 0.00 0.00 +0.020 C BRANCH 16 17 ATOM 17 C LIG 1 3.775 0.404 -1.015 0.00 0.00 +0.036 C BRANCH 17 18 ATOM 18 C LIG 1 5.116 0.303 -0.332 0.00 0.00 -0.047 A ATOM 19 C LIG 1 5.950 -0.798 -0.567 0.00 0.00 +0.003 A ATOM 20 C LIG 1 7.184 -0.900 0.078 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.593 0.093 0.966 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.767 1.189 1.212 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.532 1.292 0.568 0.00 0.00 +0.003 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 4 15 TORSDOF 6