REMARK Name = BDB013511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.402 -2.898 -0.072 0.00 0.00 -0.043 A ATOM 2 C LIG 1 0.572 -2.142 0.771 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.827 -2.335 0.827 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -1.387 -3.386 0.075 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -2.849 -3.740 0.098 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -0.554 -4.141 -0.770 0.00 0.00 +0.004 A ATOM 7 C LIG 1 0.816 -3.897 -0.850 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.906 -2.669 -0.148 0.00 0.00 +0.030 C BRANCH 8 9 ATOM 9 C LIG 1 3.298 -1.174 -0.185 0.00 0.00 +0.015 C BRANCH 9 10 ATOM 10 C LIG 1 2.720 -0.421 -1.391 0.00 0.00 +0.059 C BRANCH 10 14 ATOM 11 N LIG 1 3.276 3.156 -1.294 0.00 0.00 -0.252 N ATOM 12 N LIG 1 2.336 2.992 -0.348 0.00 0.00 -0.065 NA ATOM 13 N LIG 1 2.049 1.699 -0.295 0.00 0.00 -0.135 NA ATOM 14 C LIG 1 2.828 1.049 -1.218 0.00 0.00 +0.083 A ATOM 15 C LIG 1 3.630 1.967 -1.858 0.00 0.00 +0.133 A BRANCH 11 17 ATOM 16 C LIG 1 3.051 5.148 -2.720 0.00 0.00 +0.029 C ATOM 17 C LIG 1 3.802 4.470 -1.588 0.00 0.00 +0.142 C ENDBRANCH 11 17 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 8 9 BRANCH 8 18 ATOM 18 C LIG 1 3.596 -3.359 1.039 0.00 0.00 +0.128 C BRANCH 18 19 ATOM 19 C LIG 1 3.714 -4.847 0.823 0.00 0.00 +0.305 C ATOM 20 O LIG 1 4.670 -5.374 0.275 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 2.656 -5.554 1.273 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 1.917 -5.002 1.600 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -1.641 -1.389 1.697 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 N LIG 1 -2.156 -0.140 1.062 0.00 0.00 -0.169 NA ATOM 25 S LIG 1 -3.678 -0.266 0.318 0.00 0.00 +0.066 S ATOM 26 O LIG 1 -3.503 -0.522 -1.094 0.00 0.00 -0.153 OA ATOM 27 O LIG 1 -4.479 -1.160 1.133 0.00 0.00 -0.153 OA ATOM 28 C LIG 1 -4.384 1.323 0.508 0.00 0.00 +0.167 A ATOM 29 C LIG 1 -3.751 2.437 0.007 0.00 0.00 +0.242 A ATOM 30 N LIG 1 -4.273 3.684 0.097 0.00 0.00 -0.220 NA ATOM 31 C LIG 1 -5.464 3.816 0.718 0.00 0.00 +0.115 A ATOM 32 C LIG 1 -6.167 2.754 1.259 0.00 0.00 +0.022 A ATOM 33 O LIG 1 -2.562 2.387 -0.648 0.00 0.00 -0.471 OA ATOM 34 C LIG 1 -1.431 2.144 0.201 0.00 0.00 +0.188 C ATOM 35 C LIG 1 -1.429 2.873 1.549 0.00 0.00 +0.053 C ATOM 36 C LIG 1 -5.615 1.482 1.151 0.00 0.00 +0.035 A ATOM 37 C LIG 1 -1.120 0.646 0.322 0.00 0.00 +0.154 C ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10