REMARK Name = BDB005097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.837 0.638 1.758 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.169 -0.332 1.753 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.468 -0.033 2.203 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -1.751 1.263 2.652 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.754 2.236 2.665 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.533 1.924 2.222 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.669 -0.758 0.772 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.161 0.401 1.335 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.788 1.192 1.400 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.035 -1.754 0.446 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.895 -0.794 -0.027 0.00 0.00 +0.121 A ATOM 12 C LIG 1 6.401 -0.111 1.090 0.00 0.00 +0.046 A ATOM 13 C LIG 1 5.031 -0.088 1.371 0.00 0.00 +0.016 A ATOM 14 C LIG 1 4.137 -0.741 0.514 0.00 0.00 +0.037 A ATOM 15 C LIG 1 4.629 -1.431 -0.600 0.00 0.00 +0.016 A ATOM 16 C LIG 1 6.003 -1.452 -0.875 0.00 0.00 +0.046 A BRANCH 11 17 ATOM 17 O LIG 1 8.251 -0.724 -0.179 0.00 0.00 -0.492 OA BRANCH 17 19 ATOM 18 C LIG 1 9.048 -0.986 -2.455 0.00 0.00 +0.048 C ATOM 19 C LIG 1 8.883 -1.626 -1.088 0.00 0.00 +0.225 C ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -2.550 -1.090 2.162 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -3.176 -1.137 0.843 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -2.487 -0.943 0.121 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.317 -0.336 0.635 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.914 -0.294 -0.645 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -6.052 0.526 -0.787 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.646 0.604 -2.065 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -6.141 -0.129 -3.157 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -5.036 -0.950 -3.002 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -6.543 1.203 0.276 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.926 1.054 1.452 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -4.428 -1.031 -1.756 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.841 0.319 1.683 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -7.837 1.463 -2.364 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -8.312 1.536 -3.494 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -8.392 2.184 -1.349 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -9.190 2.771 -1.542 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -8.011 2.138 -0.409 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 8