REMARK Name = BDB062107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.245 -1.053 0.594 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.519 0.035 0.203 0.00 0.00 -0.324 N ATOM 3 C LIG 1 -1.833 -0.389 0.119 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.781 -1.740 0.451 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -2.955 -2.509 0.463 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.173 -1.897 0.141 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.207 -0.537 -0.191 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.042 0.242 -0.207 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.502 -2.128 0.734 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -0.015 1.379 -0.070 0.00 0.00 +0.092 C ATOM 11 C LIG 1 -0.539 2.420 0.925 0.00 0.00 +0.044 C ATOM 12 C LIG 1 0.072 3.789 0.645 0.00 0.00 +0.110 C ATOM 13 N LIG 1 -0.076 4.181 -0.757 0.00 0.00 -0.302 N ATOM 14 C LIG 1 -0.128 5.515 -1.166 0.00 0.00 +0.212 C ATOM 15 O LIG 1 0.054 5.859 -2.334 0.00 0.00 -0.276 OA ATOM 16 C LIG 1 -0.438 6.549 -0.114 0.00 0.00 +0.109 C ATOM 17 C LIG 1 0.363 3.203 -1.753 0.00 0.00 +0.110 C ATOM 18 C LIG 1 -0.248 1.828 -1.516 0.00 0.00 +0.044 C ENDBRANCH 2 10 BRANCH 6 19 ATOM 19 C LIG 1 -5.390 -2.681 0.139 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -6.505 -2.414 0.904 0.00 0.00 +0.142 A ATOM 21 C LIG 1 -6.866 -1.380 1.893 0.00 0.00 +0.090 C ATOM 22 O LIG 1 -7.453 -3.358 0.657 0.00 0.00 -0.359 OA ATOM 23 N LIG 1 -6.974 -4.269 -0.264 0.00 0.00 -0.083 NA ATOM 24 C LIG 1 -5.735 -3.862 -0.571 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -4.925 -4.625 -1.548 0.00 0.00 +0.070 C ENDBRANCH 6 19 BRANCH 1 26 ATOM 26 C LIG 1 1.722 -1.035 0.831 0.00 0.00 +0.079 C BRANCH 26 27 ATOM 27 C LIG 1 2.496 -1.257 -0.469 0.00 0.00 +0.043 C BRANCH 27 32 ATOM 28 C LIG 1 6.769 -0.974 0.212 0.00 0.00 +0.138 A ATOM 29 C LIG 1 6.030 0.149 -0.194 0.00 0.00 +0.083 A ATOM 30 CL LIG 1 6.783 1.690 -0.424 0.00 0.00 -0.080 Cl ATOM 31 C LIG 1 4.653 0.058 -0.423 0.00 0.00 +0.027 A ATOM 32 C LIG 1 3.985 -1.160 -0.251 0.00 0.00 -0.045 A ATOM 33 C LIG 1 4.718 -2.279 0.160 0.00 0.00 +0.007 A ATOM 34 C LIG 1 6.097 -2.188 0.387 0.00 0.00 +0.047 A BRANCH 28 36 ATOM 35 C LIG 1 8.882 -1.925 0.792 0.00 0.00 +0.277 C ATOM 36 O LIG 1 8.111 -0.792 0.415 0.00 0.00 -0.494 OA ENDBRANCH 28 36 ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 6