REMARK Name = BDB054458 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.815 0.209 -0.420 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -2.698 -0.594 -1.208 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -3.957 -0.086 -0.969 0.00 0.00 +0.117 A ATOM 4 N LIG 1 -3.787 0.937 -0.087 0.00 0.00 -0.268 N ATOM 5 N LIG 1 -2.506 1.150 0.249 0.00 0.00 -0.171 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.440 -1.660 -2.150 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -3.025 -2.928 -1.968 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -2.711 -3.900 -2.914 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -3.365 -5.052 -2.574 0.00 0.00 -0.346 N ATOM 10 H LIG 1 -3.303 -5.906 -3.108 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -4.085 -4.857 -1.423 0.00 0.00 +0.085 A ATOM 12 N LIG 1 -1.909 -3.775 -3.987 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -1.376 -2.538 -4.108 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -3.891 -3.552 -1.023 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -1.595 -1.473 -3.248 0.00 0.00 +0.029 A ENDBRANCH 2 6 BRANCH 1 19 ATOM 16 C LIG 1 2.453 -0.027 -0.057 0.00 0.00 +0.035 A ATOM 17 C LIG 1 1.810 1.209 -0.098 0.00 0.00 +0.024 A ATOM 18 C LIG 1 0.415 1.280 -0.211 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -0.360 0.117 -0.288 0.00 0.00 +0.003 A ATOM 20 C LIG 1 0.285 -1.122 -0.225 0.00 0.00 +0.012 A ATOM 21 C LIG 1 1.679 -1.193 -0.110 0.00 0.00 +0.024 A BRANCH 16 24 ATOM 22 O LIG 1 4.614 1.957 -0.382 0.00 0.00 -0.252 OA ATOM 23 C LIG 1 4.822 0.799 -0.044 0.00 0.00 +0.308 C ATOM 24 N LIG 1 3.849 -0.185 0.067 0.00 0.00 -0.269 N ATOM 25 H LIG 1 4.187 -1.135 0.074 0.00 0.00 +0.156 HD ATOM 26 N LIG 1 6.065 0.273 0.282 0.00 0.00 -0.269 N ATOM 27 H LIG 1 6.052 -0.598 0.788 0.00 0.00 +0.156 HD BRANCH 26 28 ATOM 28 C LIG 1 7.320 0.909 0.184 0.00 0.00 +0.035 A ATOM 29 C LIG 1 8.421 0.244 0.742 0.00 0.00 +0.023 A ATOM 30 C LIG 1 9.700 0.803 0.677 0.00 0.00 +0.002 A ATOM 31 C LIG 1 9.892 2.030 0.049 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.806 2.695 -0.515 0.00 0.00 +0.002 A ATOM 33 C LIG 1 7.526 2.136 -0.450 0.00 0.00 +0.023 A ENDBRANCH 26 28 ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 4 34 ATOM 34 C LIG 1 -4.825 1.778 0.469 0.00 0.00 +0.175 C BRANCH 34 35 ATOM 35 C LIG 1 -5.268 1.321 1.853 0.00 0.00 +0.140 C ATOM 36 O LIG 1 -6.466 2.030 2.241 0.00 0.00 -0.375 OA ATOM 37 C LIG 1 -6.356 2.386 3.628 0.00 0.00 +0.160 C ATOM 38 C LIG 1 -5.148 1.658 4.175 0.00 0.00 +0.031 C ATOM 39 C LIG 1 -4.257 1.577 2.961 0.00 0.00 +0.035 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6