REMARK Name = BDB032696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 6.501 0.709 0.037 0.00 0.00 -0.282 N ATOM 2 C LIG 1 5.448 -0.094 -0.374 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.368 -1.307 -0.356 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 4.385 0.804 -0.838 0.00 0.00 +0.042 A ATOM 5 C LIG 1 4.795 2.115 -0.609 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.968 3.172 -0.943 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.724 2.881 -1.517 0.00 0.00 +0.007 A ATOM 8 C LIG 1 2.315 1.547 -1.757 0.00 0.00 -0.010 A ATOM 9 C LIG 1 3.162 0.488 -1.399 0.00 0.00 +0.020 A ATOM 10 C LIG 1 6.141 2.121 0.032 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.918 -2.348 3.093 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 9.216 -1.646 2.371 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.099 -1.021 2.864 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.881 -1.204 3.834 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 7.302 -0.092 2.235 0.00 0.00 +0.240 C ATOM 16 O LIG 1 6.431 0.507 2.865 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 7.663 0.226 0.776 0.00 0.00 +0.163 C ATOM 18 C LIG 1 8.356 -0.969 0.121 0.00 0.00 +0.041 C ATOM 19 C LIG 1 9.582 -1.349 0.936 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.956 1.263 -2.347 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.053 1.039 -1.262 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.225 0.802 -1.654 0.00 0.00 +0.405 C ATOM 23 N LIG 1 -1.976 0.595 -0.533 0.00 0.00 -0.250 N ATOM 24 H LIG 1 -1.444 0.649 0.325 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 -1.590 0.787 -2.819 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.351 0.319 -0.449 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -3.925 0.133 0.803 0.00 0.00 +0.136 A ATOM 28 N LIG 1 -5.235 -0.137 1.022 0.00 0.00 -0.238 NA ATOM 29 C LIG 1 -6.058 -0.249 -0.042 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -5.558 -0.059 -1.332 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -4.202 0.221 -1.538 0.00 0.00 +0.028 A BRANCH 29 32 ATOM 32 N LIG 1 -7.410 -0.514 0.171 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -7.850 -0.494 1.568 0.00 0.00 +0.106 C ATOM 34 C LIG 1 -9.376 -0.520 1.618 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -9.958 -1.757 0.935 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -8.968 -2.431 -0.010 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -8.095 -1.422 -0.754 0.00 0.00 +0.106 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6