REMARK Name = BDB052319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.091 -1.535 1.319 0.00 0.00 -0.002 A ATOM 2 C LIG 1 0.180 -1.311 0.754 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.652 -2.278 -0.123 0.00 0.00 +0.139 A ATOM 4 N LIG 1 1.885 -1.887 -0.561 0.00 0.00 -0.339 N ATOM 5 H LIG 1 2.449 -2.438 -1.190 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 2.236 -0.671 -0.014 0.00 0.00 +0.049 A ATOM 7 N LIG 1 0.038 -3.413 -0.504 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -1.178 -3.574 0.065 0.00 0.00 +0.114 A ATOM 9 C LIG 1 1.184 -0.302 0.813 0.00 0.00 +0.038 A ATOM 10 C LIG 1 -1.779 -2.696 0.955 0.00 0.00 +0.029 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 3.505 0.001 -0.303 0.00 0.00 -0.002 A ATOM 12 C LIG 1 4.118 -0.116 -1.557 0.00 0.00 +0.010 A ATOM 13 C LIG 1 5.332 0.527 -1.821 0.00 0.00 +0.005 A ATOM 14 C LIG 1 5.961 1.300 -0.836 0.00 0.00 -0.033 A ATOM 15 C LIG 1 5.346 1.424 0.415 0.00 0.00 +0.005 A ATOM 16 C LIG 1 4.131 0.781 0.677 0.00 0.00 +0.010 A BRANCH 14 17 ATOM 17 C LIG 1 7.270 2.001 -1.129 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 8.341 1.077 -1.514 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 8.773 0.208 -0.416 0.00 0.00 +0.085 C ATOM 20 C LIG 1 10.109 -0.332 -0.906 0.00 0.00 +0.017 C ATOM 21 C LIG 1 10.606 0.690 -1.922 0.00 0.00 +0.017 C ATOM 22 C LIG 1 9.552 1.786 -1.928 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 1 24 ATOM 23 C LIG 1 -2.897 0.151 2.196 0.00 0.00 +0.100 A ATOM 24 C LIG 1 -1.664 -0.574 2.233 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -1.089 -0.244 3.441 0.00 0.00 +0.117 A ATOM 26 N LIG 1 -1.952 0.620 4.043 0.00 0.00 -0.271 N ATOM 27 N LIG 1 -3.055 0.870 3.321 0.00 0.00 -0.171 NA BRANCH 23 31 ATOM 28 C LIG 1 -5.904 0.195 -0.862 0.00 0.00 +0.035 A ATOM 29 C LIG 1 -6.261 0.196 0.486 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -5.274 0.189 1.481 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -3.915 0.176 1.145 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -3.560 0.194 -0.209 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -4.546 0.203 -1.202 0.00 0.00 +0.024 A BRANCH 28 37 ATOM 34 N LIG 1 -8.781 0.239 -3.080 0.00 0.00 -0.299 N ATOM 35 H LIG 1 -8.324 0.946 -3.637 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 -8.200 0.042 -1.838 0.00 0.00 +0.304 C ATOM 37 N LIG 1 -6.835 0.213 -1.919 0.00 0.00 -0.269 N ATOM 38 H LIG 1 -6.458 0.188 -2.854 0.00 0.00 +0.156 HD ATOM 39 O LIG 1 -8.848 -0.255 -0.844 0.00 0.00 -0.253 OA BRANCH 34 41 ATOM 40 C LIG 1 -10.708 -1.286 -3.275 0.00 0.00 +0.024 C ATOM 41 C LIG 1 -10.221 0.152 -3.232 0.00 0.00 +0.102 C ENDBRANCH 34 41 ENDBRANCH 28 37 ENDBRANCH 23 31 BRANCH 26 42 ATOM 42 C LIG 1 -1.785 1.246 5.340 0.00 0.00 +0.140 C ATOM 43 C LIG 1 -2.514 0.493 6.438 0.00 0.00 +0.029 C ENDBRANCH 26 42 ENDBRANCH 1 24 TORSDOF 8