REMARK Name = BDB052350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.395 -1.319 4.235 0.00 0.00 -0.271 N ATOM 2 N LIG 1 1.513 -0.839 3.668 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 1.378 -1.117 2.360 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.149 -1.808 2.118 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.452 -1.918 3.354 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -0.404 -2.387 0.915 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -1.663 -1.974 0.440 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -2.115 -2.571 -0.730 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -3.339 -2.043 -1.029 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -3.866 -2.301 -1.849 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -3.711 -1.106 -0.089 0.00 0.00 +0.049 A ATOM 12 N LIG 1 -1.489 -3.501 -1.474 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.285 -3.858 -0.971 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -2.669 -1.043 0.827 0.00 0.00 +0.038 A ATOM 15 C LIG 1 0.294 -3.351 0.183 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -4.968 -0.360 -0.156 0.00 0.00 -0.002 A ATOM 17 C LIG 1 -5.028 0.966 0.290 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -6.223 1.688 0.227 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -7.388 1.100 -0.284 0.00 0.00 -0.033 A ATOM 20 C LIG 1 -7.333 -0.229 -0.722 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -6.136 -0.950 -0.660 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 C LIG 1 -8.686 1.879 -0.334 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -8.587 3.139 -1.093 0.00 0.00 -0.304 NA ATOM 24 C LIG 1 -8.404 2.889 -2.525 0.00 0.00 +0.104 C ATOM 25 C LIG 1 -9.789 3.947 -0.879 0.00 0.00 +0.104 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 26 ATOM 26 C LIG 1 2.415 -0.726 1.403 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.084 -0.239 0.134 0.00 0.00 +0.012 A ATOM 28 C LIG 1 3.088 0.119 -0.774 0.00 0.00 +0.024 A ATOM 29 C LIG 1 4.441 0.006 -0.429 0.00 0.00 +0.035 A ATOM 30 C LIG 1 4.772 -0.472 0.838 0.00 0.00 +0.024 A ATOM 31 C LIG 1 3.768 -0.829 1.748 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 5.386 0.377 -1.409 0.00 0.00 -0.269 N ATOM 33 H LIG 1 5.007 0.740 -2.268 0.00 0.00 +0.156 HD ATOM 34 C LIG 1 6.765 0.465 -1.268 0.00 0.00 +0.308 C ATOM 35 N LIG 1 7.348 0.761 -2.493 0.00 0.00 -0.269 N ATOM 36 H LIG 1 6.763 0.634 -3.303 0.00 0.00 +0.156 HD ATOM 37 O LIG 1 7.376 0.302 -0.221 0.00 0.00 -0.252 OA BRANCH 35 38 ATOM 38 C LIG 1 8.708 1.034 -2.755 0.00 0.00 +0.035 A ATOM 39 C LIG 1 9.090 1.146 -4.099 0.00 0.00 +0.023 A ATOM 40 C LIG 1 10.416 1.425 -4.444 0.00 0.00 +0.002 A ATOM 41 C LIG 1 11.371 1.598 -3.447 0.00 0.00 +0.000 A ATOM 42 C LIG 1 11.000 1.496 -2.109 0.00 0.00 +0.002 A ATOM 43 C LIG 1 9.673 1.217 -1.764 0.00 0.00 +0.023 A ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 3 26 BRANCH 1 45 ATOM 44 C LIG 1 0.906 -2.268 6.450 0.00 0.00 +0.029 C ATOM 45 C LIG 1 0.199 -1.178 5.665 0.00 0.00 +0.140 C ENDBRANCH 1 45 TORSDOF 8