REMARK Name = BDB024893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.172 0.212 0.731 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.147 -0.514 0.093 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.545 -1.862 -0.354 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.705 -2.812 0.845 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.611 -2.449 -1.409 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.186 -2.446 -0.899 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.798 -1.052 -0.497 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.440 -0.661 -0.574 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.355 -1.412 -0.947 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.692 -0.613 -0.884 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.316 0.649 -0.449 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.055 0.637 -0.270 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.990 1.601 0.101 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.333 1.200 0.194 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.763 -0.115 -0.044 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.360 -0.101 0.658 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.213 1.780 -0.218 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.210 2.272 1.240 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.238 3.385 1.466 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.106 4.515 0.435 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.020 4.033 -1.014 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.978 2.934 -1.202 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.641 2.810 1.505 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.435 2.744 0.582 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.961 2.322 2.719 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.863 1.959 2.599 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.795 1.935 2.200 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.752 1.249 1.507 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.105 -1.038 -1.231 0.00 0.00 +0.085 C ATOM 30 C LIG 1 -2.063 -2.047 -2.390 0.00 0.00 +0.018 C BRANCH 29 31 ATOM 31 C LIG 1 -2.801 -1.625 0.023 0.00 0.00 +0.155 C BRANCH 31 32 ATOM 32 C LIG 1 -4.213 -2.118 -0.231 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -4.505 -3.489 -0.169 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -5.802 -3.948 -0.405 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.820 -3.044 -0.704 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.544 -1.680 -0.767 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.248 -1.218 -0.532 0.00 0.00 +0.006 A ENDBRANCH 31 32 BRANCH 31 38 ATOM 38 O LIG 1 -2.898 -0.627 1.054 0.00 0.00 -0.386 OA ATOM 39 H LIG 1 -3.420 -1.033 1.770 0.00 0.00 +0.210 HD ENDBRANCH 31 38 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 8