REMARK Name = BDB028201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.867 0.603 -0.659 0.00 0.00 +0.083 A ATOM 2 C LIG 1 -1.680 -0.233 -0.349 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.908 -1.464 0.261 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.840 -2.309 0.583 0.00 0.00 +0.014 A ATOM 5 C LIG 1 0.467 -1.916 0.292 0.00 0.00 +0.011 A ATOM 6 C LIG 1 0.712 -0.679 -0.317 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.289 -1.871 0.566 0.00 0.00 +0.272 A ATOM 8 O LIG 1 -3.534 -2.944 1.103 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -4.272 -0.979 0.214 0.00 0.00 -0.242 N ATOM 10 H LIG 1 -5.232 -1.242 0.416 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 -0.366 0.161 -0.640 0.00 0.00 +0.020 A ATOM 12 N LIG 1 -4.084 0.229 -0.382 0.00 0.00 -0.174 NA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.090 -0.269 -0.623 0.00 0.00 +0.073 A ATOM 14 N LIG 1 2.994 0.135 0.359 0.00 0.00 -0.297 N ATOM 15 C LIG 1 4.271 0.500 0.018 0.00 0.00 +0.156 A ATOM 16 N LIG 1 4.996 0.856 1.054 0.00 0.00 -0.235 NA ATOM 17 C LIG 1 4.146 0.717 2.124 0.00 0.00 +0.131 A ATOM 18 C LIG 1 4.652 0.459 -1.365 0.00 0.00 +0.157 A ATOM 19 N LIG 1 3.814 0.084 -2.296 0.00 0.00 -0.258 NA ATOM 20 C LIG 1 2.903 0.276 1.721 0.00 0.00 +0.113 A ATOM 21 C LIG 1 2.535 -0.281 -1.901 0.00 0.00 +0.137 A ENDBRANCH 6 13 BRANCH 1 22 ATOM 22 C LIG 1 -2.644 1.963 -1.330 0.00 0.00 +0.136 C BRANCH 22 23 ATOM 23 N LIG 1 -3.919 2.650 -1.565 0.00 0.00 -0.325 NA ATOM 24 H LIG 1 -4.409 2.709 -0.669 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -4.515 2.021 -2.109 0.00 0.00 +0.119 HD ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 3