REMARK Name = BDB054683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.696 0.644 0.134 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.948 0.515 -0.339 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 -2.589 -0.585 0.096 0.00 0.00 +0.147 A ATOM 4 C LIG 1 -2.064 -1.540 0.945 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -3.066 -2.513 1.143 0.00 0.00 +0.042 A ATOM 6 C LIG 1 -4.192 -2.143 0.420 0.00 0.00 +0.089 A ATOM 7 C LIG 1 -0.764 -1.328 1.379 0.00 0.00 +0.126 A ATOM 8 N LIG 1 -3.881 -0.960 -0.240 0.00 0.00 -0.319 N ATOM 9 N LIG 1 -0.092 -0.231 0.962 0.00 0.00 -0.222 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.439 -2.854 0.392 0.00 0.00 +0.171 A ATOM 11 O LIG 1 -6.649 -2.313 0.023 0.00 0.00 -0.441 OA ATOM 12 C LIG 1 -7.548 -3.319 0.184 0.00 0.00 +0.308 A ATOM 13 N LIG 1 -7.045 -4.449 0.623 0.00 0.00 -0.224 NA ATOM 14 C LIG 1 -5.710 -4.161 0.761 0.00 0.00 +0.162 A ENDBRANCH 6 10 BRANCH 8 15 ATOM 15 C LIG 1 -4.682 -0.177 -1.166 0.00 0.00 +0.089 C ATOM 16 C LIG 1 -5.889 0.555 -0.559 0.00 0.00 +0.025 C ATOM 17 C LIG 1 -6.994 0.475 -1.616 0.00 0.00 +0.002 C ATOM 18 C LIG 1 -6.311 0.010 -2.895 0.00 0.00 +0.002 C ATOM 19 C LIG 1 -5.197 -0.908 -2.409 0.00 0.00 +0.025 C ENDBRANCH 8 15 BRANCH 1 20 ATOM 20 N LIG 1 -0.022 1.786 -0.317 0.00 0.00 -0.282 N ATOM 21 H LIG 1 -0.657 2.289 -0.924 0.00 0.00 +0.155 HD BRANCH 20 26 ATOM 22 C LIG 1 3.372 2.479 0.583 0.00 0.00 +0.106 A ATOM 23 N LIG 1 3.027 3.534 -0.233 0.00 0.00 -0.344 N ATOM 24 C LIG 1 3.915 4.608 -0.621 0.00 0.00 +0.149 C ATOM 25 C LIG 1 1.735 3.383 -0.669 0.00 0.00 +0.109 A ATOM 26 C LIG 1 1.224 2.241 -0.093 0.00 0.00 +0.052 A ATOM 27 C LIG 1 2.239 1.690 0.717 0.00 0.00 +0.055 A BRANCH 22 33 ATOM 28 C LIG 1 7.205 -1.907 -0.067 0.00 0.00 +0.105 C ATOM 29 N LIG 1 6.126 -1.535 0.843 0.00 0.00 -0.302 NA ATOM 30 C LIG 1 4.935 -1.044 0.112 0.00 0.00 +0.103 C ATOM 31 C LIG 1 5.083 0.385 -0.455 0.00 0.00 +0.123 C ATOM 32 N LIG 1 5.492 1.314 0.605 0.00 0.00 -0.294 N ATOM 33 C LIG 1 4.670 2.283 1.184 0.00 0.00 +0.263 C ATOM 34 O LIG 1 5.033 2.956 2.150 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 6.706 0.904 1.308 0.00 0.00 +0.123 C ATOM 36 C LIG 1 6.565 -0.538 1.844 0.00 0.00 +0.103 C ENDBRANCH 22 33 ENDBRANCH 20 26 ENDBRANCH 1 20 TORSDOF 5