REMARK Name = BDB052349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.379 -5.986 0.873 0.00 0.00 -0.271 N ATOM 2 N LIG 1 -0.517 -5.084 1.304 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 -0.445 -4.080 0.412 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.557 -4.354 -0.576 0.00 0.00 +0.028 A ATOM 5 C LIG 1 1.050 -5.600 -0.246 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 1.053 -3.582 -1.696 0.00 0.00 -0.002 A ATOM 7 C LIG 1 1.458 -2.244 -1.515 0.00 0.00 +0.027 A ATOM 8 C LIG 1 1.857 -1.550 -2.653 0.00 0.00 +0.139 A ATOM 9 N LIG 1 2.156 -0.268 -2.287 0.00 0.00 -0.339 N ATOM 10 H LIG 1 2.450 0.448 -2.935 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 1.970 -0.102 -0.935 0.00 0.00 +0.049 A ATOM 12 N LIG 1 1.935 -2.015 -3.913 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 1.558 -3.309 -4.024 0.00 0.00 +0.114 A ATOM 14 C LIG 1 1.581 -1.329 -0.429 0.00 0.00 +0.038 A ATOM 15 C LIG 1 1.120 -4.118 -2.986 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 2.177 1.174 -0.261 0.00 0.00 +0.002 A ATOM 17 C LIG 1 1.288 2.254 -0.421 0.00 0.00 -0.041 A ATOM 18 C LIG 1 0.056 2.152 -1.281 0.00 0.00 +0.044 C ATOM 19 C LIG 1 1.559 3.458 0.244 0.00 0.00 +0.004 A ATOM 20 C LIG 1 2.679 3.587 1.069 0.00 0.00 +0.005 A ATOM 21 C LIG 1 3.559 2.513 1.249 0.00 0.00 -0.033 A ATOM 22 C LIG 1 3.293 1.310 0.580 0.00 0.00 +0.015 A BRANCH 21 23 ATOM 23 C LIG 1 4.766 2.641 2.154 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 N LIG 1 6.020 3.097 1.536 0.00 0.00 -0.304 NA ATOM 25 C LIG 1 5.947 4.455 1.010 0.00 0.00 +0.104 C ATOM 26 C LIG 1 6.541 2.171 0.535 0.00 0.00 +0.104 C ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 27 ATOM 27 C LIG 1 -1.307 -2.903 0.548 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -1.879 -2.284 -0.569 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -2.632 -1.111 -0.431 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -2.838 -0.544 0.827 0.00 0.00 +0.035 A ATOM 31 C LIG 1 -2.303 -1.187 1.950 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -1.546 -2.354 1.813 0.00 0.00 +0.012 A BRANCH 30 33 ATOM 33 N LIG 1 -3.556 0.648 1.053 0.00 0.00 -0.269 N ATOM 34 H LIG 1 -3.644 0.923 2.018 0.00 0.00 +0.156 HD ATOM 35 C LIG 1 -4.122 1.495 0.109 0.00 0.00 +0.308 C ATOM 36 N LIG 1 -4.758 2.559 0.737 0.00 0.00 -0.269 N ATOM 37 H LIG 1 -4.670 2.607 1.739 0.00 0.00 +0.156 HD ATOM 38 O LIG 1 -4.068 1.329 -1.102 0.00 0.00 -0.252 OA BRANCH 36 39 ATOM 39 C LIG 1 -5.494 3.604 0.138 0.00 0.00 +0.035 A ATOM 40 C LIG 1 -6.015 4.587 0.991 0.00 0.00 +0.023 A ATOM 41 C LIG 1 -6.764 5.652 0.483 0.00 0.00 +0.002 A ATOM 42 C LIG 1 -7.000 5.747 -0.885 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -6.487 4.775 -1.742 0.00 0.00 +0.002 A ATOM 44 C LIG 1 -5.738 3.708 -1.232 0.00 0.00 +0.023 A ENDBRANCH 36 39 ENDBRANCH 30 33 ENDBRANCH 3 27 BRANCH 1 46 ATOM 45 C LIG 1 -0.506 -8.249 1.288 0.00 0.00 +0.029 C ATOM 46 C LIG 1 0.563 -7.221 1.611 0.00 0.00 +0.140 C ENDBRANCH 1 46 TORSDOF 8