REMARK Name = BDB052320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.229 -1.418 -1.732 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -0.010 -0.717 -1.680 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.304 0.072 -2.779 0.00 0.00 +0.139 A ATOM 4 N LIG 1 1.511 0.667 -2.542 0.00 0.00 -0.339 N ATOM 5 H LIG 1 1.947 1.308 -3.187 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 2.003 0.301 -1.307 0.00 0.00 +0.049 A ATOM 7 N LIG 1 -0.423 0.252 -3.897 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -1.584 -0.443 -3.890 0.00 0.00 +0.114 A ATOM 9 C LIG 1 1.061 -0.555 -0.754 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -2.029 -1.268 -2.867 0.00 0.00 +0.029 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 3.271 0.800 -0.771 0.00 0.00 -0.002 A ATOM 12 C LIG 1 3.421 1.012 0.605 0.00 0.00 +0.010 A ATOM 13 C LIG 1 4.626 1.492 1.130 0.00 0.00 +0.005 A ATOM 14 C LIG 1 5.710 1.765 0.288 0.00 0.00 -0.033 A ATOM 15 C LIG 1 5.563 1.550 -1.089 0.00 0.00 +0.005 A ATOM 16 C LIG 1 4.358 1.071 -1.612 0.00 0.00 +0.010 A BRANCH 14 17 ATOM 17 C LIG 1 7.013 2.292 0.849 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 8.158 1.425 0.554 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 9.421 2.023 0.986 0.00 0.00 +0.085 C ATOM 20 C LIG 1 10.389 0.852 0.937 0.00 0.00 +0.017 C ATOM 21 C LIG 1 9.522 -0.388 1.128 0.00 0.00 +0.017 C ATOM 22 C LIG 1 8.097 0.136 1.246 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 1 26 ATOM 23 N LIG 1 -1.657 -3.910 0.798 0.00 0.00 -0.271 N ATOM 24 N LIG 1 -2.798 -3.255 1.063 0.00 0.00 -0.171 NA ATOM 25 C LIG 1 -2.802 -2.216 0.209 0.00 0.00 +0.100 A ATOM 26 C LIG 1 -1.639 -2.249 -0.624 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -0.933 -3.359 -0.214 0.00 0.00 +0.117 A BRANCH 25 28 ATOM 28 C LIG 1 -3.902 -1.248 0.216 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -3.670 0.117 0.011 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -4.734 1.026 0.009 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -6.047 0.593 0.225 0.00 0.00 +0.035 A ATOM 32 C LIG 1 -6.281 -0.767 0.433 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -5.216 -1.677 0.436 0.00 0.00 +0.012 A BRANCH 31 34 ATOM 34 N LIG 1 -7.065 1.567 0.188 0.00 0.00 -0.269 N ATOM 35 H LIG 1 -6.758 2.522 0.090 0.00 0.00 +0.156 HD ATOM 36 C LIG 1 -8.378 1.425 0.579 0.00 0.00 +0.306 C ATOM 37 N LIG 1 -9.182 2.526 0.261 0.00 0.00 -0.291 N ATOM 38 C LIG 1 -8.960 3.379 -0.899 0.00 0.00 +0.133 C ATOM 39 C LIG 1 -10.545 2.508 0.765 0.00 0.00 +0.133 C ATOM 40 O LIG 1 -8.829 0.455 1.182 0.00 0.00 -0.252 OA ENDBRANCH 31 34 ENDBRANCH 25 28 BRANCH 23 42 ATOM 41 C LIG 1 -0.635 -4.764 2.869 0.00 0.00 +0.029 C ATOM 42 C LIG 1 -1.320 -5.099 1.556 0.00 0.00 +0.140 C ENDBRANCH 23 42 ENDBRANCH 1 26 TORSDOF 7