REMARK Name = BDB010835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.687 -0.236 -0.063 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.669 0.698 -0.252 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.957 2.049 -0.179 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.131 2.804 -0.484 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 1.111 1.962 -0.771 0.00 0.00 +0.149 A ATOM 6 N LIG 1 -2.161 2.555 0.117 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.065 1.602 0.345 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.697 0.662 -0.477 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.896 0.261 0.271 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.435 2.036 0.695 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.371 1.102 0.935 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.249 0.104 0.910 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.506 1.751 1.221 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.577 1.232 1.492 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.263 3.100 1.156 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.881 3.246 0.804 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.512 -1.600 -0.207 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.788 -1.869 -0.860 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.210 -3.785 0.519 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.664 -2.500 -0.183 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -3.131 -2.840 -1.609 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -4.505 -3.567 -1.720 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -5.149 -2.191 -1.971 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -3.775 -1.713 -2.470 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 2.483 2.366 -1.318 0.00 0.00 +0.147 C ATOM 26 C LIG 1 2.751 1.712 -2.682 0.00 0.00 +0.055 C BRANCH 25 27 ATOM 27 C LIG 1 2.712 3.872 -1.483 0.00 0.00 +0.009 A ATOM 28 C LIG 1 3.955 4.446 -1.201 0.00 0.00 +0.117 A ATOM 29 N LIG 1 4.260 5.757 -1.355 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 3.283 6.553 -1.834 0.00 0.00 +0.111 A ATOM 31 C LIG 1 2.026 6.095 -2.179 0.00 0.00 +0.020 A ATOM 32 C LIG 1 1.746 4.740 -2.013 0.00 0.00 +0.010 A ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 O LIG 1 3.426 1.863 -0.367 0.00 0.00 -0.376 OA ATOM 34 H LIG 1 3.279 2.381 0.447 0.00 0.00 +0.211 HD ENDBRANCH 25 33 ENDBRANCH 5 25 BRANCH 8 35 ATOM 35 C LIG 1 1.531 -0.526 -0.370 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 1.580 -1.163 1.039 0.00 0.00 +0.009 C ATOM 37 C LIG 1 2.189 -0.207 2.083 0.00 0.00 +0.005 C ATOM 38 C LIG 1 2.698 -0.973 3.298 0.00 0.00 +0.003 C ATOM 39 C LIG 1 3.861 -1.908 2.921 0.00 0.00 -0.014 C ATOM 40 C LIG 1 3.956 -3.062 3.920 0.00 0.00 +0.007 C ATOM 41 C LIG 1 3.757 -2.422 1.473 0.00 0.00 +0.003 C ATOM 42 C LIG 1 2.311 -2.522 0.998 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9