REMARK Name = BDB005148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.010 -2.712 -1.968 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -2.190 -2.351 -1.285 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -3.070 -3.394 -0.948 0.00 0.00 +0.088 A ATOM 4 C LIG 1 -4.244 -3.050 -0.247 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -4.538 -1.714 0.096 0.00 0.00 +0.060 A ATOM 6 C LIG 1 -3.678 -0.689 -0.257 0.00 0.00 +0.122 A ATOM 7 N LIG 1 -2.780 -4.670 -1.292 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -1.646 -4.896 -1.965 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -2.512 -1.013 -0.942 0.00 0.00 +0.059 A ATOM 10 N LIG 1 -0.750 -3.979 -2.323 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.258 -4.060 0.192 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -6.222 -3.743 0.882 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -5.095 -5.358 -0.190 0.00 0.00 -0.325 N ATOM 14 H LIG 1 -4.266 -5.648 -0.703 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 -5.747 -6.053 0.143 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 -0.084 -1.712 -2.329 0.00 0.00 -0.324 N ATOM 17 H LIG 1 0.160 -1.167 -1.506 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 1.121 -2.192 -2.994 0.00 0.00 +0.138 C BRANCH 18 21 ATOM 19 C LIG 1 3.894 0.412 -2.632 0.00 0.00 +0.034 A ATOM 20 C LIG 1 3.078 -0.697 -2.402 0.00 0.00 +0.028 A ATOM 21 C LIG 1 2.018 -1.006 -3.272 0.00 0.00 -0.029 A ATOM 22 C LIG 1 1.774 -0.178 -4.375 0.00 0.00 +0.005 A ATOM 23 C LIG 1 2.589 0.926 -4.617 0.00 0.00 +0.002 A ATOM 24 C LIG 1 3.645 1.216 -3.752 0.00 0.00 +0.023 A BRANCH 19 26 ATOM 25 C LIG 1 5.347 0.201 -0.603 0.00 0.00 +0.248 C ATOM 26 N LIG 1 4.976 0.779 -1.804 0.00 0.00 -0.281 N ATOM 27 H LIG 1 5.485 1.604 -2.092 0.00 0.00 +0.155 HD ATOM 28 O LIG 1 4.759 -0.690 -0.002 0.00 0.00 -0.270 OA BRANCH 25 32 ATOM 29 C LIG 1 8.845 1.853 1.273 0.00 0.00 +0.120 A ATOM 30 C LIG 1 8.783 1.751 -0.120 0.00 0.00 +0.046 A ATOM 31 C LIG 1 7.657 1.214 -0.750 0.00 0.00 +0.016 A ATOM 32 C LIG 1 6.572 0.781 0.019 0.00 0.00 +0.037 A ATOM 33 C LIG 1 6.639 0.864 1.415 0.00 0.00 +0.016 A ATOM 34 C LIG 1 7.769 1.403 2.039 0.00 0.00 +0.046 A BRANCH 29 36 ATOM 35 C LIG 1 10.127 2.505 3.166 0.00 0.00 +0.277 C ATOM 36 O LIG 1 10.003 2.398 1.753 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 25 32 ENDBRANCH 19 26 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 37 ATOM 37 O LIG 1 -3.836 0.639 0.011 0.00 0.00 -0.492 OA BRANCH 37 38 ATOM 38 C LIG 1 -5.078 1.090 0.562 0.00 0.00 +0.230 C BRANCH 38 39 ATOM 39 C LIG 1 -5.027 1.056 2.089 0.00 0.00 +0.056 C BRANCH 39 40 ATOM 40 C LIG 1 -6.362 1.437 2.735 0.00 0.00 +0.087 C BRANCH 40 41 ATOM 41 N LIG 1 -6.869 2.763 2.343 0.00 0.00 -0.308 NA ATOM 42 C LIG 1 -6.038 3.845 2.876 0.00 0.00 +0.104 C ATOM 43 C LIG 1 -8.249 2.929 2.809 0.00 0.00 +0.104 C ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 12