REMARK Name = BDB010806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.987 0.213 0.243 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.889 1.021 -0.059 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.957 2.381 0.182 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.184 3.017 -0.190 0.00 0.00 -0.205 NA ATOM 5 C LIG 1 0.979 2.091 -0.696 0.00 0.00 +0.180 A ATOM 6 N LIG 1 -2.017 3.014 0.707 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.028 2.172 0.957 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.368 0.844 -0.607 0.00 0.00 -0.317 N ATOM 9 N LIG 1 -3.066 0.843 0.752 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.240 2.795 1.535 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.259 4.122 1.744 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.522 4.781 1.549 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.455 4.417 2.268 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.842 5.527 2.593 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.178 3.255 2.382 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.337 2.205 1.886 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.027 -1.155 0.026 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.138 -1.625 0.099 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.896 -2.198 2.067 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -3.146 -1.924 0.581 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -3.237 -3.265 -0.172 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -3.626 -3.182 -1.676 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -5.084 -3.449 -1.262 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -4.538 -4.095 0.024 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 2.299 2.407 -1.255 0.00 0.00 +0.203 C ATOM 26 O LIG 1 3.007 1.535 -1.765 0.00 0.00 -0.288 OA BRANCH 25 27 ATOM 27 C LIG 1 2.813 3.872 -1.198 0.00 0.00 +0.028 C ATOM 28 C LIG 1 1.910 4.803 -2.020 0.00 0.00 +0.019 C ATOM 29 C LIG 1 4.228 3.926 -1.819 0.00 0.00 +0.019 C ATOM 30 C LIG 1 2.928 4.357 0.255 0.00 0.00 +0.019 C ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 31 ATOM 31 C LIG 1 0.911 -0.423 -1.072 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 1.509 -1.306 0.046 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.832 -0.768 0.627 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.052 -1.353 -0.076 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.122 -2.885 0.068 0.00 0.00 -0.014 C ATOM 36 C LIG 1 5.061 -3.297 1.203 0.00 0.00 +0.007 C ATOM 37 C LIG 1 2.736 -3.520 0.271 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.659 -2.749 -0.482 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 8