REMARK Name = BDB032113 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.703 0.140 -0.780 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.069 -0.861 -1.506 0.00 0.00 +0.136 A ATOM 3 N LIG 1 -1.238 -1.206 -1.352 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 -1.959 -0.530 -0.435 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -1.414 0.480 0.341 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -0.069 0.816 0.163 0.00 0.00 +0.028 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.989 -0.031 -1.778 0.00 0.00 +0.222 C ATOM 8 N LIG 1 2.053 0.524 -0.919 0.00 0.00 -0.284 N ATOM 9 H LIG 1 2.366 1.269 -0.309 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.768 -0.941 -2.569 0.00 0.00 -0.275 OA BRANCH 7 13 ATOM 11 C LIG 1 6.462 0.511 -0.208 0.00 0.00 +0.088 C ATOM 12 C LIG 1 4.924 0.578 -0.255 0.00 0.00 +0.037 C ATOM 13 C LIG 1 4.358 0.648 -1.685 0.00 0.00 +0.091 C ATOM 14 C LIG 1 5.333 0.029 -2.694 0.00 0.00 +0.093 C ATOM 15 N LIG 1 6.648 0.681 -2.717 0.00 0.00 -0.314 NA ATOM 16 H LIG 1 6.675 1.403 -3.436 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 7.056 1.241 -1.429 0.00 0.00 +0.103 C BRANCH 11 19 ATOM 18 C LIG 1 6.720 0.483 2.257 0.00 0.00 +0.237 C ATOM 19 N LIG 1 6.987 1.064 1.040 0.00 0.00 -0.308 N ATOM 20 H LIG 1 7.759 1.715 0.980 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 5.936 -0.440 2.426 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 7.379 0.619 4.615 0.00 0.00 +0.013 C ATOM 23 C LIG 1 7.492 1.095 3.369 0.00 0.00 +0.059 C ENDBRANCH 18 23 ENDBRANCH 11 19 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 N LIG 1 -3.281 -0.965 -0.354 0.00 0.00 -0.265 N ATOM 25 H LIG 1 -3.469 -1.692 -1.030 0.00 0.00 +0.157 HD ATOM 26 C LIG 1 -4.296 -0.466 0.434 0.00 0.00 +0.268 C ATOM 27 O LIG 1 -4.213 0.498 1.188 0.00 0.00 -0.268 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.606 -1.189 0.308 0.00 0.00 +0.126 A ATOM 29 N LIG 1 -6.713 -0.407 0.371 0.00 0.00 -0.241 NA ATOM 30 C LIG 1 -7.913 -1.021 0.268 0.00 0.00 +0.089 A ATOM 31 C LIG 1 -8.051 -2.393 0.100 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -6.902 -3.178 0.045 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.654 -2.571 0.154 0.00 0.00 +0.033 A BRANCH 30 34 ATOM 34 C LIG 1 -9.045 -0.116 0.350 0.00 0.00 +0.084 A ATOM 35 N LIG 1 -8.875 1.227 0.584 0.00 0.00 -0.275 N ATOM 36 H LIG 1 -7.989 1.706 0.719 0.00 0.00 +0.189 HD ATOM 37 N LIG 1 -10.024 1.927 0.630 0.00 0.00 -0.182 NA ATOM 38 C LIG 1 -10.959 1.000 0.423 0.00 0.00 +0.135 A ATOM 39 C LIG 1 -10.412 -0.285 0.245 0.00 0.00 +0.050 A ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 TORSDOF 7