REMARK Name = BDB018218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.925 -0.920 1.264 0.00 0.00 -0.264 N ATOM 2 N LIG 1 -0.293 -0.675 2.434 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 0.961 -0.400 2.067 0.00 0.00 +0.143 A ATOM 4 C LIG 1 1.148 -0.469 0.669 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.093 -0.816 0.181 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 2.340 -0.235 -0.097 0.00 0.00 +0.001 A ATOM 7 C LIG 1 3.323 0.580 0.337 0.00 0.00 +0.097 A ATOM 8 N LIG 1 4.479 0.818 -0.394 0.00 0.00 -0.318 N ATOM 9 C LIG 1 5.474 1.723 0.157 0.00 0.00 +0.152 C ATOM 10 C LIG 1 4.707 0.235 -1.637 0.00 0.00 +0.251 A ATOM 11 O LIG 1 5.702 0.414 -2.333 0.00 0.00 -0.268 OA ATOM 12 C LIG 1 3.636 -0.670 -2.124 0.00 0.00 +0.071 A ATOM 13 C LIG 1 2.536 -0.878 -1.390 0.00 0.00 +0.015 A ENDBRANCH 4 6 BRANCH 1 15 ATOM 14 C LIG 1 -2.598 -2.695 0.788 0.00 0.00 +0.038 C ATOM 15 C LIG 1 -2.352 -1.265 1.275 0.00 0.00 +0.135 C BRANCH 15 16 ATOM 16 C LIG 1 -3.187 -0.131 0.686 0.00 0.00 -0.005 A ATOM 17 C LIG 1 -3.600 -0.002 -0.650 0.00 0.00 +0.046 A ATOM 18 CL LIG 1 -3.208 -1.135 -1.892 0.00 0.00 -0.083 Cl ATOM 19 C LIG 1 -4.362 1.103 -1.059 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -4.717 2.102 -0.156 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.304 2.006 1.165 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.547 0.908 1.578 0.00 0.00 +0.007 A ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 3