REMARK Name = BDB024898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.627 1.663 2.424 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.345 1.400 2.942 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -2.936 1.992 4.238 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.710 1.366 5.413 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -1.440 1.867 4.566 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -0.599 2.083 3.330 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -0.986 1.042 2.325 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.026 0.414 1.504 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.336 0.582 1.487 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 1.787 -0.180 0.502 0.00 0.00 +0.144 A ATOM 11 N LIG 1 0.755 -0.885 -0.082 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -0.418 -0.505 0.541 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.758 -0.853 0.359 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.705 -0.224 1.177 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.352 0.727 2.145 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -5.071 1.277 1.346 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.878 -1.850 -1.170 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.472 -3.272 -0.764 0.00 0.00 +0.039 C ATOM 19 C LIG 1 0.830 -4.291 -1.858 0.00 0.00 +0.100 C ATOM 20 C LIG 1 0.729 -3.718 -3.283 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.237 -2.540 -3.366 0.00 0.00 +0.003 C ATOM 22 C LIG 1 0.201 -1.381 -2.470 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.068 -5.504 -1.703 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.194 -5.587 -2.170 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 0.482 -6.489 -0.956 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 1.385 -6.312 -0.635 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -6.679 2.766 2.768 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -5.366 2.468 3.248 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 3.245 -0.255 0.107 0.00 0.00 +0.212 C BRANCH 29 30 ATOM 30 C LIG 1 3.564 0.468 -1.183 0.00 0.00 +0.007 A ATOM 31 C LIG 1 4.192 -0.146 -2.277 0.00 0.00 +0.050 A ATOM 32 CL LIG 1 4.694 -1.798 -2.249 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 4.434 0.565 -3.456 0.00 0.00 +0.066 A ATOM 34 C LIG 1 4.079 1.908 -3.561 0.00 0.00 +0.121 A ATOM 35 C LIG 1 3.467 2.537 -2.482 0.00 0.00 +0.046 A ATOM 36 C LIG 1 3.216 1.826 -1.308 0.00 0.00 +0.011 A BRANCH 34 37 ATOM 37 O LIG 1 4.368 2.485 -4.763 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 4.297 3.906 -4.816 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 3.996 0.378 1.152 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 3.323 0.675 1.802 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 8