REMARK Name = BDB011346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.712 -0.018 -0.909 0.00 0.00 +0.054 A ATOM 2 N LIG 1 0.801 0.011 0.150 0.00 0.00 -0.339 N ATOM 3 C LIG 1 -0.439 -0.143 -0.405 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.840 -0.215 0.084 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.550 -0.382 -1.223 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.644 -0.550 -2.304 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -1.884 -0.861 -3.459 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.338 -0.321 -1.751 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.008 -0.248 -2.093 0.00 0.00 +0.041 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 4.067 -0.965 -0.570 0.00 0.00 +0.145 A ATOM 11 C LIG 1 3.119 0.141 -0.722 0.00 0.00 +0.047 A ATOM 12 C LIG 1 3.587 1.399 -0.809 0.00 0.00 +0.084 A ATOM 13 C LIG 1 5.035 1.696 -0.681 0.00 0.00 +0.252 A ATOM 14 O LIG 1 5.409 2.865 -0.724 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 5.870 0.597 -0.516 0.00 0.00 -0.315 N ATOM 16 C LIG 1 7.305 0.805 -0.400 0.00 0.00 +0.152 C ATOM 17 C LIG 1 5.382 -0.698 -0.472 0.00 0.00 +0.135 A BRANCH 10 19 ATOM 18 C LIG 1 4.322 -3.346 -0.440 0.00 0.00 +0.277 C ATOM 19 O LIG 1 3.476 -2.208 -0.536 0.00 0.00 -0.493 OA ENDBRANCH 10 19 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 -3.773 -1.099 -1.230 0.00 0.00 +0.042 A ATOM 21 C LIG 1 -5.005 -0.428 -1.131 0.00 0.00 -0.029 A ATOM 22 C LIG 1 -5.120 1.071 -1.092 0.00 0.00 +0.045 C ATOM 23 C LIG 1 -6.187 -1.186 -1.070 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -6.149 -2.579 -1.142 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -4.927 -3.228 -1.278 0.00 0.00 +0.043 A ATOM 26 CL LIG 1 -4.878 -4.946 -1.369 0.00 0.00 -0.083 Cl ATOM 27 C LIG 1 -3.742 -2.498 -1.323 0.00 0.00 +0.043 A ENDBRANCH 5 20 BRANCH 4 28 ATOM 28 C LIG 1 -2.297 1.008 0.853 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -2.958 0.849 2.083 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -3.385 1.962 2.812 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -3.157 3.244 2.317 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -3.683 4.613 3.216 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -2.510 3.424 1.097 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -2.084 2.311 0.368 0.00 0.00 +0.007 A ENDBRANCH 4 28 BRANCH 2 35 ATOM 35 C LIG 1 1.034 0.160 1.588 0.00 0.00 +0.081 C ATOM 36 C LIG 1 1.923 -0.926 2.194 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.494 1.563 1.980 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 5