REMARK Name = BDB047470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.695 0.197 -0.446 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -4.957 -0.963 -0.152 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -3.862 -1.359 -0.928 0.00 0.00 +0.137 A ATOM 4 O LIG 1 -3.204 -2.519 -0.592 0.00 0.00 -0.436 OA ATOM 5 C LIG 1 -1.908 -2.356 -0.149 0.00 0.00 +0.247 A ATOM 6 C LIG 1 -0.934 -1.638 -0.848 0.00 0.00 +0.131 A ATOM 7 N LIG 1 -1.064 -0.987 -2.104 0.00 0.00 -0.333 N ATOM 8 H LIG 1 -0.839 0.001 -1.963 0.00 0.00 +0.147 HD ATOM 9 C LIG 1 -2.309 -1.139 -2.850 0.00 0.00 +0.140 C ATOM 10 C LIG 1 0.316 -1.590 -0.198 0.00 0.00 +0.151 A ATOM 11 N LIG 1 0.553 -2.172 0.990 0.00 0.00 -0.218 NA ATOM 12 C LIG 1 -0.460 -2.851 1.536 0.00 0.00 +0.227 A ATOM 13 N LIG 1 -1.684 -2.986 1.023 0.00 0.00 -0.199 NA ATOM 14 C LIG 1 -3.473 -0.643 -2.053 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -4.179 0.511 -2.374 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -5.265 0.916 -1.580 0.00 0.00 +0.023 A ENDROOT BRANCH 10 17 ATOM 17 N LIG 1 1.348 -0.862 -0.862 0.00 0.00 -0.295 N ATOM 18 H LIG 1 1.253 -1.051 -1.859 0.00 0.00 +0.154 HD BRANCH 17 19 ATOM 19 C LIG 1 2.662 -0.615 -0.448 0.00 0.00 +0.069 A ATOM 20 C LIG 1 3.107 -0.591 0.859 0.00 0.00 +0.139 A ATOM 21 N LIG 1 4.368 -0.276 1.238 0.00 0.00 -0.221 NA ATOM 22 C LIG 1 5.229 0.048 0.273 0.00 0.00 +0.222 A ATOM 23 N LIG 1 4.912 0.102 -1.029 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 3.637 -0.220 -1.348 0.00 0.00 +0.139 A BRANCH 22 25 ATOM 25 N LIG 1 6.546 0.386 0.541 0.00 0.00 -0.250 N ATOM 26 H LIG 1 7.066 0.591 -0.295 0.00 0.00 +0.158 HD ATOM 27 C LIG 1 7.157 0.366 1.768 0.00 0.00 +0.250 C ATOM 28 O LIG 1 6.674 0.001 2.833 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 8.582 0.808 1.759 0.00 0.00 +0.037 A ATOM 30 C LIG 1 9.040 1.816 0.900 0.00 0.00 +0.013 A ATOM 31 C LIG 1 10.384 2.197 0.927 0.00 0.00 +0.001 A ATOM 32 C LIG 1 11.269 1.581 1.812 0.00 0.00 +0.000 A ATOM 33 C LIG 1 10.814 0.590 2.680 0.00 0.00 +0.001 A ATOM 34 C LIG 1 9.472 0.207 2.659 0.00 0.00 +0.013 A ENDBRANCH 27 29 ENDBRANCH 22 25 ENDBRANCH 17 19 ENDBRANCH 10 17 BRANCH 1 35 ATOM 35 N LIG 1 -6.776 0.607 0.327 0.00 0.00 -0.330 N BRANCH 35 37 ATOM 36 C LIG 1 -6.551 0.100 2.732 0.00 0.00 +0.024 C ATOM 37 C LIG 1 -7.293 -0.206 1.438 0.00 0.00 +0.102 C ENDBRANCH 35 37 BRANCH 35 38 ATOM 38 C LIG 1 -7.458 1.889 0.107 0.00 0.00 +0.102 C ATOM 39 C LIG 1 -8.577 1.743 -0.914 0.00 0.00 +0.024 C ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 7