REMARK Name = BDB039008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.696 -0.868 -0.824 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.694 0.081 -0.907 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.427 -0.228 -0.254 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.293 0.703 -0.603 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.479 1.824 -1.444 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.403 2.663 -1.766 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.123 2.442 -1.248 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.953 1.342 -0.399 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.137 0.826 0.286 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.290 -0.302 0.966 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.578 -0.503 0.761 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.836 2.084 -2.049 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.002 0.488 -0.079 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.956 1.484 -1.204 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.538 -1.997 -0.372 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.554 -1.200 1.834 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.065 -1.162 3.297 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.851 -2.334 3.636 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.154 -3.680 3.431 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.902 -3.661 2.326 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.578 -2.630 1.253 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.945 -1.373 -1.241 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.888 -0.415 -1.303 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.480 1.418 0.255 0.00 0.00 +0.086 C ATOM 25 C LIG 1 -1.920 1.914 1.633 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.482 0.515 -0.502 0.00 0.00 +0.029 C BRANCH 26 27 ATOM 27 C LIG 1 -3.864 1.157 -0.770 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.414 0.797 -2.178 0.00 0.00 +0.101 C ATOM 29 C LIG 1 -5.801 1.411 -2.412 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -6.787 1.068 -1.300 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.247 1.470 0.066 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -4.883 0.844 0.344 0.00 0.00 +0.004 C BRANCH 28 33 ATOM 33 C LIG 1 -4.449 -0.673 -2.564 0.00 0.00 +0.308 C ATOM 34 O LIG 1 -4.532 -1.092 -3.709 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.429 -1.539 -1.541 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -4.478 -2.417 -1.975 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7