REMARK Name = BDB031723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.746 1.528 -1.001 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.950 1.952 0.081 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.588 1.629 0.079 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.030 0.935 -0.951 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.400 0.814 -0.553 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.603 1.387 0.639 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.751 0.543 -2.054 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.404 1.874 0.986 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.323 2.364 1.869 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.121 0.848 -2.061 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.708 -1.302 2.534 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.848 -0.669 1.294 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.784 0.349 1.158 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.177 1.240 0.012 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.230 1.819 -1.021 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.286 2.098 0.578 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.457 1.722 1.899 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.146 2.145 2.501 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.896 2.956 -0.035 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.223 0.739 -1.402 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.583 0.694 2.259 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.487 0.078 3.487 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.532 -0.932 3.616 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 1.826 -2.574 1.832 0.00 0.00 +0.277 C ATOM 25 O LIG 1 2.812 -2.297 2.821 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.316 0.179 -1.332 0.00 0.00 -0.292 N ATOM 27 H LIG 1 -1.976 -0.190 -2.215 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.638 -0.029 -1.105 0.00 0.00 +0.114 A ATOM 29 C LIG 1 -4.530 -0.708 -1.966 0.00 0.00 +0.255 A ATOM 30 N LIG 1 -5.775 -0.771 -1.484 0.00 0.00 -0.131 NA ATOM 31 N LIG 1 -5.673 -0.111 -0.307 0.00 0.00 -0.264 N ATOM 32 C LIG 1 -4.416 0.344 -0.037 0.00 0.00 +0.135 A BRANCH 29 33 ATOM 33 O LIG 1 -4.203 -1.262 -3.156 0.00 0.00 -0.477 OA ATOM 34 C LIG 1 -5.299 -1.851 -3.846 0.00 0.00 +0.279 C ENDBRANCH 29 33 BRANCH 31 35 ATOM 35 C LIG 1 -6.850 0.040 0.534 0.00 0.00 +0.171 C BRANCH 35 36 ATOM 36 C LIG 1 -7.464 -1.310 0.892 0.00 0.00 +0.179 C BRANCH 36 37 ATOM 37 O LIG 1 -8.126 -1.895 -0.229 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 -7.486 -1.851 -0.974 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 8