REMARK Name = BDB052342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.511 0.389 0.120 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -3.595 -0.413 -0.361 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -4.723 0.359 -0.178 0.00 0.00 +0.117 A ATOM 4 N LIG 1 -4.292 1.537 0.351 0.00 0.00 -0.270 N ATOM 5 N LIG 1 -2.965 1.584 0.540 0.00 0.00 -0.171 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -3.641 -1.728 -0.960 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -2.904 -2.000 -2.129 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -2.994 -3.294 -2.635 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.219 -3.366 -3.760 0.00 0.00 -0.346 N ATOM 10 H LIG 1 -2.118 -4.202 -4.316 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -1.631 -2.151 -4.000 0.00 0.00 +0.085 A ATOM 12 N LIG 1 -3.706 -4.323 -2.142 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -4.401 -4.000 -1.028 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -2.040 -1.284 -3.008 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -4.411 -2.758 -0.410 0.00 0.00 +0.029 A ENDBRANCH 2 6 BRANCH 1 19 ATOM 16 C LIG 1 1.687 -0.497 0.325 0.00 0.00 +0.035 A ATOM 17 C LIG 1 1.243 0.793 0.039 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -0.128 1.076 -0.018 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -1.082 0.073 0.199 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -0.634 -1.218 0.495 0.00 0.00 +0.012 A ATOM 21 C LIG 1 0.737 -1.501 0.551 0.00 0.00 +0.024 A BRANCH 16 24 ATOM 22 O LIG 1 4.120 1.183 0.340 0.00 0.00 -0.252 OA ATOM 23 C LIG 1 4.156 -0.040 0.342 0.00 0.00 +0.308 C ATOM 24 N LIG 1 3.045 -0.872 0.385 0.00 0.00 -0.269 N ATOM 25 H LIG 1 3.225 -1.833 0.626 0.00 0.00 +0.156 HD ATOM 26 N LIG 1 5.316 -0.803 0.301 0.00 0.00 -0.269 N ATOM 27 H LIG 1 5.196 -1.772 0.053 0.00 0.00 +0.156 HD BRANCH 26 28 ATOM 28 C LIG 1 6.649 -0.345 0.362 0.00 0.00 +0.035 A ATOM 29 C LIG 1 7.010 0.970 0.661 0.00 0.00 +0.023 A ATOM 30 C LIG 1 8.358 1.341 0.713 0.00 0.00 +0.002 A ATOM 31 C LIG 1 9.356 0.401 0.471 0.00 0.00 +0.000 A ATOM 32 C LIG 1 9.008 -0.915 0.179 0.00 0.00 +0.002 A ATOM 33 C LIG 1 7.661 -1.286 0.127 0.00 0.00 +0.023 A ENDBRANCH 26 28 ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 4 34 ATOM 34 C LIG 1 -5.118 2.682 0.699 0.00 0.00 +0.145 C BRANCH 34 35 ATOM 35 C LIG 1 -5.040 3.054 2.182 0.00 0.00 +0.051 C BRANCH 35 36 ATOM 36 C LIG 1 -3.937 4.066 2.468 0.00 0.00 +0.157 C BRANCH 36 37 ATOM 37 O LIG 1 -4.293 5.327 1.910 0.00 0.00 -0.395 OA ATOM 38 H LIG 1 -4.937 5.739 2.510 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 8