REMARK Name = BDB004943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.576 -1.613 1.741 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.360 -1.668 1.046 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.790 -2.229 1.630 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.709 -2.738 2.930 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.498 -2.693 3.625 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.635 -2.135 3.033 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.939 -0.800 1.580 0.00 0.00 +0.250 C ATOM 8 N LIG 1 2.674 -1.034 1.070 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.479 -0.698 0.137 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 4.311 -0.989 2.732 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.825 0.946 -1.008 0.00 0.00 +0.118 A ATOM 12 N LIG 1 6.871 1.175 0.319 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 5.930 0.587 1.102 0.00 0.00 +0.126 A ATOM 14 C LIG 1 4.913 -0.223 0.620 0.00 0.00 +0.055 A ATOM 15 C LIG 1 4.888 -0.475 -0.750 0.00 0.00 +0.018 A ATOM 16 C LIG 1 5.854 0.116 -1.567 0.00 0.00 +0.044 A BRANCH 11 18 ATOM 17 C LIG 1 8.749 2.371 -1.204 0.00 0.00 +0.127 C ATOM 18 N LIG 1 7.794 1.495 -1.865 0.00 0.00 -0.332 N ATOM 19 H LIG 1 7.332 1.958 -2.641 0.00 0.00 +0.147 HD ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -2.092 -2.261 0.863 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -2.561 -0.891 0.686 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -2.636 -0.422 1.586 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.785 -0.761 -0.004 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.333 0.523 -0.208 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -5.561 0.584 -0.895 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.133 1.858 -1.097 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -5.496 3.028 -0.639 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -4.281 2.958 0.022 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -6.150 -0.550 -1.340 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -5.526 -1.712 -1.116 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.703 1.714 0.234 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -4.372 -1.873 -0.472 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -7.436 2.071 -1.803 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -7.894 3.195 -1.982 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -8.119 0.980 -2.252 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -7.741 0.044 -2.138 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -8.988 1.116 -2.749 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7