REMARK Name = BDB027069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.520 -0.980 -0.448 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.777 0.452 -0.902 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -3.024 0.714 -2.262 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.246 2.017 -2.711 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.213 3.079 -1.811 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.953 2.840 -0.464 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.731 1.537 -0.011 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -1.149 -1.454 -0.799 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -1.072 -1.478 -1.814 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -0.059 -0.613 -0.282 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 1.286 -1.324 -0.488 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 4.579 1.086 0.961 0.00 0.00 -0.039 A ATOM 13 C LIG 1 3.830 0.296 1.842 0.00 0.00 +0.004 A ATOM 14 C LIG 1 2.775 -0.489 1.372 0.00 0.00 +0.004 A ATOM 15 C LIG 1 2.442 -0.491 0.012 0.00 0.00 -0.046 A ATOM 16 C LIG 1 3.172 0.317 -0.866 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.228 1.101 -0.396 0.00 0.00 +0.004 A BRANCH 12 18 ATOM 18 C LIG 1 5.709 1.944 1.482 0.00 0.00 +0.131 C BRANCH 18 21 ATOM 19 C LIG 1 8.973 0.643 -0.048 0.00 0.00 +0.131 C ATOM 20 N LIG 1 7.830 0.764 0.842 0.00 0.00 -0.307 N ATOM 21 C LIG 1 6.989 1.862 0.659 0.00 0.00 +0.219 C ATOM 22 O LIG 1 7.260 2.767 -0.136 0.00 0.00 -0.275 OA ATOM 23 C LIG 1 7.417 -0.460 1.512 0.00 0.00 +0.131 C ENDBRANCH 18 21 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -2.894 -1.267 1.033 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -2.030 -1.337 1.914 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -4.311 -1.444 1.421 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -5.550 -1.396 0.682 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -6.586 -1.645 1.593 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -7.940 -1.678 1.234 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -8.269 -1.450 -0.101 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.277 -1.197 -1.039 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -6.016 -1.832 2.827 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -6.531 -2.028 3.675 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -5.927 -1.169 -0.662 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -4.662 -1.714 2.737 0.00 0.00 +0.095 A ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9