REMARK Name = BDB007157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.537 2.589 -2.074 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.117 1.984 -0.880 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.433 0.972 -0.032 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.509 0.690 0.958 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.279 -0.277 1.952 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.940 -0.960 1.941 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.909 -0.688 0.975 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.605 1.502 0.720 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.658 0.265 -0.026 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.377 2.298 -0.387 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.366 3.292 -0.894 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.190 -1.448 1.025 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.292 -0.819 0.479 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.234 0.185 0.376 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.234 -2.547 1.565 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.634 -1.381 0.618 0.00 0.00 +0.102 C ATOM 17 C LIG 1 5.810 -2.663 -0.207 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.673 -0.345 0.205 0.00 0.00 -0.009 A ATOM 19 C LIG 1 7.722 0.061 1.047 0.00 0.00 +0.046 A ATOM 20 CL LIG 1 7.942 -0.583 2.635 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 8.650 1.018 0.619 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.552 1.581 -0.654 0.00 0.00 +0.001 A ATOM 23 C LIG 1 7.527 1.186 -1.505 0.00 0.00 +0.000 A ATOM 24 C LIG 1 6.599 0.232 -1.083 0.00 0.00 +0.007 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 -2.797 1.538 1.570 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.693 0.332 1.402 0.00 0.00 -0.024 A ATOM 27 C LIG 1 -4.051 -0.157 0.135 0.00 0.00 +0.051 A ATOM 28 C LIG 1 -4.908 -1.251 0.021 0.00 0.00 +0.122 A ATOM 29 C LIG 1 -5.396 -1.897 1.152 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -5.061 -1.412 2.414 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.226 -0.299 2.539 0.00 0.00 +0.005 A BRANCH 28 32 ATOM 32 O LIG 1 -5.214 -1.724 -1.226 0.00 0.00 -0.478 OA BRANCH 32 33 ATOM 33 C LIG 1 -6.452 -1.183 -1.698 0.00 0.00 +0.278 C ATOM 34 C LIG 1 -6.305 -1.006 -3.206 0.00 0.00 +0.064 C BRANCH 33 35 ATOM 35 C LIG 1 -7.656 -2.096 -1.417 0.00 0.00 +0.346 C ATOM 36 O LIG 1 -7.593 -3.253 -1.023 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 -8.853 -1.493 -1.642 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 -8.796 -0.566 -1.942 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 9