REMARK Name = BDB051536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.021 -2.087 1.132 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -0.306 -2.537 0.970 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -0.845 -3.232 2.059 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -2.143 -3.717 1.973 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -2.933 -3.524 0.834 0.00 0.00 +0.164 A ATOM 6 C LIG 1 -2.410 -2.811 -0.256 0.00 0.00 +0.163 A ATOM 7 N LIG 1 -0.163 -3.449 3.187 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 1.080 -2.961 3.241 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -1.104 -2.327 -0.185 0.00 0.00 +0.062 A ATOM 10 N LIG 1 1.705 -2.289 2.272 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 1.646 -1.405 0.058 0.00 0.00 -0.296 N ATOM 12 H LIG 1 1.588 -1.964 -0.792 0.00 0.00 +0.154 HD BRANCH 11 14 ATOM 13 C LIG 1 3.626 -0.660 -1.149 0.00 0.00 +0.142 A ATOM 14 C LIG 1 2.885 -0.714 0.051 0.00 0.00 +0.075 A ATOM 15 C LIG 1 3.346 0.005 1.155 0.00 0.00 +0.027 A ATOM 16 C LIG 1 4.542 0.725 1.087 0.00 0.00 +0.012 A ATOM 17 C LIG 1 5.305 0.768 -0.090 0.00 0.00 +0.011 A ATOM 18 C LIG 1 4.826 0.064 -1.210 0.00 0.00 +0.058 A BRANCH 17 19 ATOM 19 C LIG 1 6.563 1.550 -0.090 0.00 0.00 +0.110 A ATOM 20 S LIG 1 7.480 1.815 -1.526 0.00 0.00 -0.067 S ATOM 21 C LIG 1 8.635 2.730 -0.643 0.00 0.00 +0.040 A ATOM 22 C LIG 1 8.245 2.779 0.694 0.00 0.00 +0.079 A ATOM 23 C LIG 1 9.051 3.484 1.610 0.00 0.00 +0.029 A ATOM 24 C LIG 1 10.217 4.117 1.168 0.00 0.00 +0.002 A ATOM 25 C LIG 1 10.587 4.055 -0.172 0.00 0.00 +0.001 A ATOM 26 C LIG 1 9.804 3.362 -1.100 0.00 0.00 +0.017 A ATOM 27 N LIG 1 7.072 2.110 0.991 0.00 0.00 -0.239 NA ENDBRANCH 17 19 BRANCH 13 29 ATOM 28 C LIG 1 3.776 -1.345 -3.435 0.00 0.00 +0.277 C ATOM 29 O LIG 1 3.079 -1.372 -2.195 0.00 0.00 -0.493 OA ENDBRANCH 13 29 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 5 30 ATOM 30 O LIG 1 -4.224 -3.973 0.698 0.00 0.00 -0.491 OA ATOM 31 C LIG 1 -4.764 -4.756 1.754 0.00 0.00 +0.277 C ENDBRANCH 5 30 BRANCH 6 32 ATOM 32 O LIG 1 -3.243 -2.660 -1.333 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 -2.935 -1.698 -2.340 0.00 0.00 +0.230 C BRANCH 33 34 ATOM 34 C LIG 1 -3.216 -0.265 -1.888 0.00 0.00 +0.056 C BRANCH 34 35 ATOM 35 C LIG 1 -4.662 -0.095 -1.404 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 N LIG 1 -4.959 1.304 -1.060 0.00 0.00 -0.300 NA ATOM 37 C LIG 1 -6.420 1.534 -1.056 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -6.829 2.802 -0.276 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -6.450 2.781 1.151 0.00 0.00 -0.303 NA ATOM 40 C LIG 1 -7.588 2.493 2.017 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -5.351 1.827 1.401 0.00 0.00 +0.099 C ATOM 42 C LIG 1 -4.354 1.727 0.223 0.00 0.00 +0.100 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 10