REMARK Name = BDB034725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.369 -4.752 -1.546 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -0.518 -3.344 -1.323 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.521 -2.456 -1.020 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -0.032 -1.188 -0.848 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.745 -0.094 -0.523 0.00 0.00 +0.051 A ATOM 6 C LIG 1 2.130 -0.283 -0.375 0.00 0.00 +0.033 A ATOM 7 C LIG 1 2.673 -1.579 -0.553 0.00 0.00 +0.025 A ATOM 8 N LIG 1 -1.416 -1.291 -1.053 0.00 0.00 -0.292 N ATOM 9 C LIG 1 1.871 -2.681 -0.881 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -1.741 -2.638 -1.329 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -2.854 -3.098 -1.525 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 2.921 0.824 -0.001 0.00 0.00 -0.313 N ATOM 13 H LIG 1 2.533 1.711 -0.315 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 4.145 0.909 0.703 0.00 0.00 +0.053 A ATOM 15 C LIG 1 5.056 1.954 0.458 0.00 0.00 +0.110 A ATOM 16 C LIG 1 6.259 1.950 1.153 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 7.466 3.163 0.955 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 6.619 1.006 2.052 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 5.736 0.016 2.272 0.00 0.00 +0.114 A ATOM 20 C LIG 1 4.513 -0.075 1.629 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 4.757 2.989 -0.479 0.00 0.00 +0.104 C ATOM 22 N LIG 1 4.457 3.815 -1.237 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 8 23 ATOM 23 C LIG 1 -2.371 -0.218 -0.905 0.00 0.00 +0.132 C BRANCH 23 24 ATOM 24 C LIG 1 -2.815 -0.050 0.548 0.00 0.00 +0.086 C BRANCH 24 25 ATOM 25 C LIG 1 -3.693 1.188 0.756 0.00 0.00 +0.169 C ATOM 26 O LIG 1 -4.877 1.118 -0.052 0.00 0.00 -0.347 OA ATOM 27 C LIG 1 -4.802 2.232 -0.943 0.00 0.00 +0.191 C ATOM 28 C LIG 1 -3.901 3.211 -0.239 0.00 0.00 +0.191 C ATOM 29 O LIG 1 -2.949 2.369 0.412 0.00 0.00 -0.347 OA ATOM 30 C LIG 1 -4.126 1.287 2.219 0.00 0.00 +0.074 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 6