REMARK Name = BDB006893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.889 -0.330 -0.178 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.265 0.432 -0.381 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -1.498 -0.081 -0.859 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -2.450 0.942 -0.884 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.740 0.657 -1.331 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -4.064 -0.638 -1.741 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -3.103 -1.663 -1.712 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -1.845 2.263 -0.350 0.00 0.00 +0.045 C ATOM 9 C LIG 1 -2.501 2.941 0.882 0.00 0.00 +0.122 C ATOM 10 N LIG 1 -2.215 4.205 0.221 0.00 0.00 -0.300 N ATOM 11 C LIG 1 -2.690 5.463 0.485 0.00 0.00 +0.213 C ATOM 12 O LIG 1 -2.734 6.348 -0.365 0.00 0.00 -0.276 OA ATOM 13 C LIG 1 -3.167 5.686 1.895 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -2.074 3.597 -1.097 0.00 0.00 +0.122 C ATOM 15 C LIG 1 -1.805 -1.373 -1.262 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -0.357 1.897 -0.151 0.00 0.00 +0.128 C ATOM 17 O LIG 1 0.935 -1.553 -0.322 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 2.127 0.478 0.284 0.00 0.00 +0.181 C BRANCH 18 20 ATOM 19 C LIG 1 4.476 0.345 0.988 0.00 0.00 +0.097 C ATOM 20 N LIG 1 3.382 -0.304 0.213 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 3.799 -0.535 -1.183 0.00 0.00 +0.103 C ATOM 22 C LIG 1 5.042 -1.466 -1.256 0.00 0.00 +0.065 C ATOM 23 C LIG 1 5.676 -1.403 -2.645 0.00 0.00 +0.025 C ATOM 24 N LIG 1 6.085 -1.205 -0.239 0.00 0.00 -0.311 NA ATOM 25 H LIG 1 5.954 -1.893 0.504 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 5.894 0.123 0.369 0.00 0.00 +0.102 C BRANCH 19 27 ATOM 27 C LIG 1 4.443 -0.182 2.444 0.00 0.00 +0.179 C BRANCH 27 29 ATOM 28 C LIG 1 4.738 1.727 3.833 0.00 0.00 +0.194 C ATOM 29 O LIG 1 5.327 0.549 3.301 0.00 0.00 -0.381 OA ENDBRANCH 27 29 ENDBRANCH 19 27 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 7 30 ATOM 30 C LIG 1 -3.466 -3.068 -2.137 0.00 0.00 +0.070 C BRANCH 30 31 ATOM 31 C LIG 1 -4.277 -3.821 -1.107 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.649 -4.039 -1.297 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.395 -4.731 -0.341 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.778 -5.209 0.814 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.416 -4.996 1.015 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.668 -4.305 0.060 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6