REMARK Name = BDB058593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.849 -0.073 0.548 0.00 0.00 +0.089 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.619 -0.171 0.398 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 -1.211 -0.686 1.645 0.00 0.00 +0.085 C ATOM 4 C LIG 1 -2.737 -0.734 1.563 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -3.192 -1.582 0.369 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -2.517 -1.083 -0.914 0.00 0.00 +0.023 C ATOM 7 C LIG 1 -0.997 -1.017 -0.746 0.00 0.00 +0.085 C BRANCH 5 8 ATOM 8 C LIG 1 -4.705 -1.630 0.242 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -5.463 -0.468 0.014 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -6.865 -0.508 -0.107 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -7.498 -1.756 0.006 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -6.761 -2.918 0.232 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -5.373 -2.856 0.349 0.00 0.00 +0.004 A BRANCH 10 14 ATOM 14 C LIG 1 -7.639 0.715 -0.343 0.00 0.00 +0.018 A ATOM 15 C LIG 1 -8.609 0.823 -1.327 0.00 0.00 +0.122 A ATOM 16 N LIG 1 -9.342 1.933 -1.568 0.00 0.00 -0.243 NA ATOM 17 C LIG 1 -9.076 2.983 -0.778 0.00 0.00 +0.221 A ATOM 18 N LIG 1 -8.168 3.018 0.206 0.00 0.00 -0.243 NA ATOM 19 C LIG 1 -7.472 1.875 0.398 0.00 0.00 +0.122 A ENDBRANCH 10 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 1.532 0.737 -0.569 0.00 0.00 +0.053 C BRANCH 20 24 ATOM 21 N LIG 1 5.212 0.725 -0.217 0.00 0.00 -0.220 N ATOM 22 N LIG 1 4.927 1.869 0.458 0.00 0.00 -0.173 NA ATOM 23 C LIG 1 3.603 1.990 0.396 0.00 0.00 +0.138 A ATOM 24 C LIG 1 2.986 0.938 -0.305 0.00 0.00 -0.008 A ATOM 25 C LIG 1 4.043 0.142 -0.687 0.00 0.00 +0.120 A BRANCH 21 30 ATOM 26 O LIG 1 11.238 0.302 0.101 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 10.139 0.805 0.300 0.00 0.00 +0.259 A ATOM 28 C LIG 1 8.895 0.185 -0.194 0.00 0.00 +0.070 A ATOM 29 C LIG 1 7.678 0.828 0.080 0.00 0.00 +0.122 A ATOM 30 C LIG 1 6.531 0.190 -0.416 0.00 0.00 +0.180 A ATOM 31 N LIG 1 6.585 -0.990 -1.125 0.00 0.00 -0.234 NA ATOM 32 C LIG 1 7.787 -1.554 -1.353 0.00 0.00 +0.114 A ATOM 33 N LIG 1 7.663 2.035 0.810 0.00 0.00 -0.233 NA ATOM 34 C LIG 1 8.772 2.538 1.218 0.00 0.00 +0.200 A ATOM 35 C LIG 1 8.968 -1.009 -0.911 0.00 0.00 +0.035 A ATOM 36 N LIG 1 9.990 1.975 0.992 0.00 0.00 -0.313 N ATOM 37 H LIG 1 10.834 2.410 1.335 0.00 0.00 +0.170 HD ENDBRANCH 21 30 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6