REMARK Name = BDB064377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.937 -0.830 0.722 0.00 0.00 +0.075 C ENDROOT BRANCH 1 10 ATOM 2 O LIG 1 4.360 0.992 -2.839 0.00 0.00 -0.267 OA ATOM 3 C LIG 1 4.433 0.561 -1.696 0.00 0.00 +0.261 A ATOM 4 C LIG 1 5.683 0.489 -0.903 0.00 0.00 +0.083 A ATOM 5 C LIG 1 5.559 -0.035 0.395 0.00 0.00 +0.080 A ATOM 6 C LIG 1 6.692 -0.137 1.209 0.00 0.00 +0.028 A ATOM 7 C LIG 1 7.940 0.275 0.749 0.00 0.00 +0.004 A ATOM 8 C LIG 1 8.061 0.795 -0.538 0.00 0.00 +0.021 A ATOM 9 N LIG 1 4.338 -0.473 0.938 0.00 0.00 -0.234 NA ATOM 10 C LIG 1 3.282 -0.396 0.200 0.00 0.00 +0.110 A ATOM 11 C LIG 1 6.938 0.905 -1.369 0.00 0.00 +0.055 A ATOM 12 CL LIG 1 7.220 1.565 -2.941 0.00 0.00 -0.083 Cl ATOM 13 N LIG 1 3.299 0.103 -1.070 0.00 0.00 -0.310 N ATOM 14 H LIG 1 2.451 0.148 -1.619 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 1 15 ATOM 15 C LIG 1 1.145 0.385 1.207 0.00 0.00 +0.023 C BRANCH 15 16 ATOM 16 C LIG 1 -0.245 0.009 1.733 0.00 0.00 +0.085 C BRANCH 16 17 ATOM 17 N LIG 1 -1.091 -0.666 0.732 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 -1.554 0.265 -0.310 0.00 0.00 +0.085 C ATOM 19 C LIG 1 -2.359 -0.478 -1.377 0.00 0.00 +0.023 C ATOM 20 C LIG 1 -3.592 -1.191 -0.790 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -3.136 -2.049 0.405 0.00 0.00 +0.023 C ATOM 22 C LIG 1 -2.246 -1.292 1.396 0.00 0.00 +0.085 C BRANCH 20 23 ATOM 23 C LIG 1 -4.762 -0.236 -0.558 0.00 0.00 -0.044 A ATOM 24 C LIG 1 -5.306 0.446 -1.665 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -6.381 1.325 -1.522 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.947 1.534 -0.270 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -6.442 0.854 0.834 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.365 -0.027 0.690 0.00 0.00 +0.004 A ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 5