REMARK Name = BDB029716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.887 0.296 0.655 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -1.815 -0.768 0.242 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -3.198 -0.097 0.245 0.00 0.00 +0.129 C ATOM 4 C LIG 1 -3.761 0.009 -1.177 0.00 0.00 +0.246 C ATOM 5 O LIG 1 -3.301 0.669 -2.096 0.00 0.00 -0.273 OA ATOM 6 N LIG 1 -4.878 -0.766 -1.258 0.00 0.00 -0.238 N ATOM 7 H LIG 1 -5.442 -0.878 -2.082 0.00 0.00 +0.159 HD ATOM 8 C LIG 1 -5.184 -1.299 -0.053 0.00 0.00 +0.307 C ATOM 9 O LIG 1 -6.131 -2.021 0.196 0.00 0.00 -0.252 OA ATOM 10 N LIG 1 -4.246 -0.883 0.859 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.250 -1.230 1.810 0.00 0.00 +0.151 HD ATOM 12 C LIG 1 -2.999 1.266 0.893 0.00 0.00 +0.056 C ATOM 13 C LIG 1 -1.542 1.595 0.578 0.00 0.00 +0.109 C ENDROOT BRANCH 1 17 ATOM 14 C LIG 1 3.143 -0.338 -0.195 0.00 0.00 +0.077 A ATOM 15 C LIG 1 2.176 -1.324 -0.266 0.00 0.00 +0.127 A ATOM 16 N LIG 1 0.861 -1.120 0.006 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 0.449 0.119 0.359 0.00 0.00 +0.121 A ATOM 18 C LIG 1 1.375 1.158 0.464 0.00 0.00 +0.044 A ATOM 19 C LIG 1 2.726 0.935 0.182 0.00 0.00 +0.020 A BRANCH 14 20 ATOM 20 C LIG 1 4.542 -0.690 -0.515 0.00 0.00 +0.340 C ATOM 21 O LIG 1 4.896 -1.812 -0.840 0.00 0.00 -0.245 OA BRANCH 20 23 ATOM 22 C LIG 1 6.719 0.136 -0.690 0.00 0.00 +0.280 C ATOM 23 O LIG 1 5.345 0.396 -0.396 0.00 0.00 -0.464 OA ENDBRANCH 20 23 ENDBRANCH 14 20 ENDBRANCH 1 17 TORSDOF 3