REMARK Name = BDB027164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.507 -1.144 -1.302 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.639 -1.853 -2.039 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -3.386 -1.193 -3.029 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -4.411 -1.855 -3.706 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -4.696 -3.186 -3.412 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.953 -3.860 -2.445 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.927 -3.201 -1.765 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 -1.907 1.266 -1.274 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 -2.006 0.191 -0.676 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -2.605 0.147 0.670 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -2.927 1.271 1.508 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -3.474 0.775 2.692 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -3.898 1.602 3.740 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -3.757 2.983 3.575 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.215 3.512 2.408 0.00 0.00 +0.001 A ATOM 16 N LIG 1 -3.500 -0.593 2.584 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -3.864 -1.215 3.293 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -2.798 2.670 1.371 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -2.973 -0.984 1.381 0.00 0.00 +0.095 A ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 N LIG 1 -0.368 -0.937 -2.238 0.00 0.00 -0.303 NA ATOM 21 H LIG 1 -0.335 -1.744 -2.862 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 0.935 -0.824 -1.571 0.00 0.00 +0.086 C BRANCH 22 23 ATOM 23 C LIG 1 1.215 0.545 -0.933 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 2.614 0.619 -0.364 0.00 0.00 -0.046 A ATOM 25 C LIG 1 2.836 0.450 1.007 0.00 0.00 +0.004 A ATOM 26 C LIG 1 4.133 0.507 1.532 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.235 0.731 0.695 0.00 0.00 +0.019 A ATOM 28 C LIG 1 5.005 0.889 -0.679 0.00 0.00 +0.012 A ATOM 29 C LIG 1 3.711 0.838 -1.204 0.00 0.00 +0.004 A BRANCH 27 30 ATOM 30 C LIG 1 6.604 0.800 1.203 0.00 0.00 +0.161 A ATOM 31 N LIG 1 6.955 0.985 2.518 0.00 0.00 -0.328 N ATOM 32 H LIG 1 6.327 1.111 3.295 0.00 0.00 +0.168 HD ATOM 33 C LIG 1 8.314 1.004 2.561 0.00 0.00 +0.222 A ATOM 34 N LIG 1 8.792 0.842 1.352 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 7.720 0.722 0.498 0.00 0.00 -0.130 NA ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8