REMARK Name = BDB013580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.923 1.148 -0.595 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.662 0.859 -1.946 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.667 1.103 -3.034 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.563 0.264 -2.288 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.522 -0.048 -1.318 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.289 0.242 0.025 0.00 0.00 -0.043 A ATOM 7 C LIG 1 -0.074 0.864 0.359 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.240 1.701 -0.092 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 5.767 1.167 -0.135 0.00 0.00 +0.191 C ATOM 10 O LIG 1 5.721 0.653 1.213 0.00 0.00 -0.470 OA ATOM 11 C LIG 1 5.752 -0.710 1.230 0.00 0.00 +0.242 A ATOM 12 C LIG 1 4.613 -1.480 1.109 0.00 0.00 +0.167 A ATOM 13 C LIG 1 4.731 -2.869 1.195 0.00 0.00 +0.035 A ATOM 14 C LIG 1 5.983 -3.431 1.423 0.00 0.00 +0.022 A ATOM 15 C LIG 1 7.069 -2.579 1.539 0.00 0.00 +0.115 A ATOM 16 S LIG 1 3.046 -0.787 0.719 0.00 0.00 +0.066 S ATOM 17 O LIG 1 2.329 -0.637 1.973 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 2.524 -1.598 -0.361 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 3.352 0.743 0.074 0.00 0.00 -0.169 NA ATOM 20 N LIG 1 6.981 -1.233 1.444 0.00 0.00 -0.220 NA ATOM 21 C LIG 1 4.461 0.840 -0.899 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 6.311 3.389 -1.295 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.994 2.681 0.013 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -2.241 -0.151 1.152 0.00 0.00 +0.030 C BRANCH 24 25 ATOM 25 C LIG 1 -2.020 -1.611 1.598 0.00 0.00 +0.128 C BRANCH 25 26 ATOM 26 C LIG 1 -0.618 -1.902 2.072 0.00 0.00 +0.305 C ATOM 27 O LIG 1 0.042 -2.884 1.769 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O LIG 1 -0.141 -0.974 2.922 0.00 0.00 -0.481 OA ATOM 29 H LIG 1 0.844 -1.094 2.889 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 -3.727 0.188 0.864 0.00 0.00 +0.015 C BRANCH 30 31 ATOM 31 C LIG 1 -4.583 -0.937 0.269 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 -5.931 -0.456 -0.127 0.00 0.00 +0.083 A ATOM 33 N LIG 1 -6.158 0.054 -1.379 0.00 0.00 -0.135 NA ATOM 34 N LIG 1 -7.435 0.405 -1.458 0.00 0.00 -0.065 NA ATOM 35 N LIG 1 -8.004 0.118 -0.276 0.00 0.00 -0.252 N ATOM 36 C LIG 1 -7.105 -0.420 0.594 0.00 0.00 +0.133 A BRANCH 35 37 ATOM 37 C LIG 1 -9.404 0.397 -0.051 0.00 0.00 +0.142 C ATOM 38 C LIG 1 -10.302 -0.704 -0.588 0.00 0.00 +0.029 C ENDBRANCH 35 37 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 6 24 TORSDOF 11