REMARK Name = BDB052348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.090 1.268 4.121 0.00 0.00 -0.271 N ATOM 2 N LIG 1 1.192 1.249 3.726 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 1.224 0.361 2.716 0.00 0.00 +0.100 A ATOM 4 C LIG 1 -0.076 -0.191 2.492 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.891 0.420 3.421 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -0.537 -1.225 1.593 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -1.561 -0.956 0.665 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.935 -2.000 -0.171 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.929 -1.550 -0.994 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -3.353 -2.119 -1.709 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -3.222 -0.229 -0.728 0.00 0.00 +0.049 A ATOM 12 N LIG 1 -1.432 -3.247 -0.206 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.450 -3.447 0.703 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -2.368 0.158 0.296 0.00 0.00 +0.038 A ATOM 15 C LIG 1 0.027 -2.503 1.601 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -4.236 0.529 -1.463 0.00 0.00 -0.001 A ATOM 17 C LIG 1 -5.410 -0.086 -1.922 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -6.388 0.639 -2.624 0.00 0.00 -0.033 A ATOM 19 C LIG 1 -6.170 2.001 -2.872 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -5.010 2.625 -2.418 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.051 1.894 -1.715 0.00 0.00 +0.010 A BRANCH 18 22 ATOM 22 C LIG 1 -7.654 -0.040 -3.107 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -8.800 -0.048 -2.187 0.00 0.00 -0.304 NA ATOM 24 C LIG 1 -9.317 1.284 -1.895 0.00 0.00 +0.104 C ATOM 25 C LIG 1 -8.556 -0.799 -0.961 0.00 0.00 +0.104 C ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 26 ATOM 26 C LIG 1 2.478 0.072 2.016 0.00 0.00 +0.003 A ATOM 27 C LIG 1 3.679 -0.012 2.730 0.00 0.00 +0.012 A ATOM 28 C LIG 1 4.884 -0.303 2.077 0.00 0.00 +0.024 A ATOM 29 C LIG 1 4.907 -0.513 0.699 0.00 0.00 +0.035 A ATOM 30 C LIG 1 3.712 -0.406 -0.022 0.00 0.00 +0.024 A ATOM 31 C LIG 1 2.507 -0.117 0.630 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 6.078 -0.793 -0.029 0.00 0.00 -0.269 N ATOM 33 H LIG 1 5.967 -0.953 -1.020 0.00 0.00 +0.156 HD ATOM 34 C LIG 1 7.306 -1.143 0.464 0.00 0.00 +0.308 C ATOM 35 N LIG 1 8.316 -1.245 -0.456 0.00 0.00 -0.269 N ATOM 36 H LIG 1 9.103 -1.759 -0.079 0.00 0.00 +0.156 HD ATOM 37 O LIG 1 7.553 -1.446 1.628 0.00 0.00 -0.252 OA BRANCH 35 38 ATOM 38 C LIG 1 8.486 -0.685 -1.735 0.00 0.00 +0.035 A ATOM 39 C LIG 1 7.743 0.396 -2.220 0.00 0.00 +0.023 A ATOM 40 C LIG 1 7.987 0.904 -3.500 0.00 0.00 +0.002 A ATOM 41 C LIG 1 8.983 0.348 -4.298 0.00 0.00 +0.000 A ATOM 42 C LIG 1 9.749 -0.708 -3.812 0.00 0.00 +0.002 A ATOM 43 C LIG 1 9.508 -1.215 -2.532 0.00 0.00 +0.023 A ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 3 26 BRANCH 1 45 ATOM 44 C LIG 1 -0.220 1.514 6.569 0.00 0.00 +0.029 C ATOM 45 C LIG 1 -0.492 2.136 5.211 0.00 0.00 +0.140 C ENDBRANCH 1 45 TORSDOF 8