REMARK Name = BDB024855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.072 -3.726 -0.173 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.782 -2.465 -0.725 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.716 -1.887 -1.716 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.830 -1.092 -1.020 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.985 -1.080 -2.785 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.200 0.048 -2.157 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.367 -0.441 -1.006 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.282 0.352 -0.566 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.825 1.540 -1.078 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.164 1.929 -0.300 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.412 0.975 0.666 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.512 -0.036 0.521 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.756 -1.219 1.213 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.835 -2.003 0.773 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.655 -1.649 -0.315 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.364 -4.378 0.586 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.639 -5.482 -0.059 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.287 -4.204 -0.589 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.469 1.013 1.659 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.842 0.925 1.028 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.101 -0.243 0.338 0.00 0.00 -0.314 N ATOM 22 H LIG 1 2.343 -0.893 0.158 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 3.664 1.829 1.153 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.354 -0.453 -0.361 0.00 0.00 +0.108 C BRANCH 24 25 ATOM 25 C LIG 1 5.461 -0.969 0.569 0.00 0.00 +0.010 C ATOM 26 C LIG 1 5.092 -2.341 1.166 0.00 0.00 +0.033 C ATOM 27 C LIG 1 6.345 -3.148 1.458 0.00 0.00 +0.160 C ATOM 28 O LIG 1 7.078 -3.446 0.270 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 7.072 -2.420 -0.726 0.00 0.00 +0.160 C ATOM 30 C LIG 1 6.815 -1.030 -0.159 0.00 0.00 +0.033 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.939 3.198 -0.469 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 0.054 4.400 -0.836 0.00 0.00 +0.132 C BRANCH 32 33 ATOM 33 N LIG 1 -0.890 4.795 0.218 0.00 0.00 -0.315 N ATOM 34 C LIG 1 -2.263 4.713 -0.044 0.00 0.00 +0.251 A ATOM 35 O LIG 1 -2.772 4.386 -1.115 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 -3.162 5.084 1.085 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -2.653 5.522 2.243 0.00 0.00 +0.007 A ATOM 38 C LIG 1 -1.228 5.639 2.414 0.00 0.00 +0.018 A ATOM 39 C LIG 1 -0.403 5.279 1.424 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8