REMARK Name = BDB062293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.706 -0.776 -0.817 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.842 0.293 -0.571 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.522 0.273 -1.058 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -1.560 1.384 -0.715 0.00 0.00 +0.140 C ATOM 5 N LIG 1 -0.500 1.475 -1.704 0.00 0.00 -0.265 N ATOM 6 C LIG 1 0.065 0.347 -2.252 0.00 0.00 +0.310 C ATOM 7 N LIG 1 -0.710 -0.808 -2.252 0.00 0.00 -0.258 N ATOM 8 C LIG 1 -0.158 -1.994 -2.893 0.00 0.00 +0.140 C ATOM 9 O LIG 1 1.197 0.395 -2.736 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 -2.058 -0.820 -1.796 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.930 -1.889 -2.039 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -4.244 -1.865 -1.558 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -7.576 -1.026 -2.421 0.00 0.00 +0.070 C ATOM 14 C LIG 1 -7.308 -0.878 -0.972 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -6.059 -0.763 -0.307 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -6.398 -0.649 1.024 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -5.644 -0.513 2.285 0.00 0.00 +0.090 C ATOM 18 O LIG 1 -7.753 -0.683 1.143 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 -8.327 -0.831 -0.104 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 -1.021 1.290 0.713 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -0.975 2.443 1.514 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -0.497 2.385 2.825 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -0.059 1.175 3.358 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -0.090 0.023 2.578 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -0.556 0.081 1.262 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 0.136 2.776 -1.932 0.00 0.00 +0.206 C BRANCH 26 27 ATOM 27 C LIG 1 1.270 3.159 -0.972 0.00 0.00 +0.231 C ATOM 28 N LIG 1 2.113 2.127 -0.632 0.00 0.00 -0.304 N ATOM 29 H LIG 1 2.121 1.376 -1.325 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 1.445 4.327 -0.634 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 3.377 2.334 0.062 0.00 0.00 +0.136 C ATOM 32 C LIG 1 3.249 3.069 1.398 0.00 0.00 +0.036 C BRANCH 31 33 ATOM 33 C LIG 1 3.974 0.975 0.292 0.00 0.00 +0.128 A ATOM 34 N LIG 1 3.275 -0.027 0.921 0.00 0.00 -0.340 N ATOM 35 H LIG 1 2.329 0.065 1.263 0.00 0.00 +0.167 HD ATOM 36 C LIG 1 4.069 -1.141 0.982 0.00 0.00 +0.067 A ATOM 37 C LIG 1 5.251 -0.763 0.347 0.00 0.00 +0.101 A ATOM 38 C LIG 1 6.286 -1.710 0.244 0.00 0.00 +0.064 A ATOM 39 C LIG 1 6.095 -2.997 0.785 0.00 0.00 +0.015 A ATOM 40 C LIG 1 4.895 -3.336 1.413 0.00 0.00 +0.003 A ATOM 41 C LIG 1 3.852 -2.412 1.524 0.00 0.00 +0.028 A ATOM 42 N LIG 1 5.175 0.556 -0.051 0.00 0.00 -0.230 NA BRANCH 38 43 ATOM 43 C LIG 1 7.551 -1.373 -0.434 0.00 0.00 +0.244 C ATOM 44 O LIG 1 7.601 -0.815 -1.521 0.00 0.00 -0.270 OA ATOM 45 N LIG 1 8.696 -1.742 0.222 0.00 0.00 -0.325 N ATOM 46 H LIG 1 8.684 -1.941 1.213 0.00 0.00 +0.145 HD ATOM 47 H LIG 1 9.554 -1.377 -0.172 0.00 0.00 +0.145 HD ENDBRANCH 38 43 ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7