REMARK Name = BDB052529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.414 -0.254 -0.263 0.00 0.00 +0.138 A ATOM 2 C LIG 1 -0.086 -0.360 1.107 0.00 0.00 +0.026 A ATOM 3 C LIG 1 1.253 -0.662 1.465 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.572 -0.755 2.839 0.00 0.00 +0.010 A ATOM 5 C LIG 1 0.609 -0.571 3.833 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.701 -0.286 3.478 0.00 0.00 +0.001 A ATOM 7 C LIG 1 2.228 -0.844 0.441 0.00 0.00 +0.041 A ATOM 8 C LIG 1 1.843 -0.786 -0.909 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.044 -0.181 2.131 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.531 -0.491 -1.260 0.00 0.00 +0.049 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 3.562 -1.198 0.793 0.00 0.00 -0.285 N ATOM 12 H LIG 1 3.590 -2.165 1.113 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 4.664 -0.826 0.109 0.00 0.00 +0.198 A ATOM 14 N LIG 1 4.781 0.438 -0.415 0.00 0.00 -0.325 N ATOM 15 H LIG 1 4.073 1.153 -0.345 0.00 0.00 +0.169 HD ATOM 16 C LIG 1 6.003 0.536 -1.021 0.00 0.00 +0.086 A ATOM 17 C LIG 1 6.594 -0.702 -0.805 0.00 0.00 +0.094 A ATOM 18 C LIG 1 7.875 -0.942 -1.299 0.00 0.00 +0.049 A ATOM 19 C LIG 1 8.461 0.112 -1.983 0.00 0.00 +0.113 A ATOM 20 N LIG 1 7.883 1.321 -2.193 0.00 0.00 -0.261 NA ATOM 21 C LIG 1 6.640 1.552 -1.710 0.00 0.00 +0.138 A ATOM 22 N LIG 1 5.755 -1.527 -0.093 0.00 0.00 -0.214 NA ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 23 ATOM 23 O LIG 1 -1.710 -0.007 -0.660 0.00 0.00 -0.437 OA BRANCH 23 25 ATOM 24 C LIG 1 -3.425 1.636 -0.869 0.00 0.00 +0.062 A ATOM 25 C LIG 1 -2.058 1.334 -0.826 0.00 0.00 +0.230 A ATOM 26 N LIG 1 -1.069 2.252 -0.999 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -1.446 3.531 -1.190 0.00 0.00 +0.114 A ATOM 28 C LIG 1 -2.765 3.943 -1.238 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -3.762 2.983 -1.078 0.00 0.00 +0.017 A BRANCH 24 32 ATOM 30 C LIG 1 -5.384 -0.980 0.681 0.00 0.00 +0.215 A ATOM 31 N LIG 1 -4.448 -0.046 0.480 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 -4.466 0.619 -0.695 0.00 0.00 +0.081 A ATOM 33 C LIG 1 -5.415 0.371 -1.666 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -6.332 -0.603 -1.367 0.00 0.00 +0.116 A ATOM 35 N LIG 1 -6.334 -1.288 -0.211 0.00 0.00 -0.223 NA BRANCH 30 37 ATOM 36 C LIG 1 -5.713 -3.030 1.845 0.00 0.00 +0.128 C ATOM 37 N LIG 1 -5.314 -1.641 1.900 0.00 0.00 -0.317 N ATOM 38 H LIG 1 -4.375 -1.478 2.247 0.00 0.00 +0.149 HD ENDBRANCH 30 37 ENDBRANCH 24 32 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 6