REMARK Name = BDB026953 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.643 1.378 -0.327 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.408 2.747 0.290 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.252 2.898 1.678 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.032 4.157 2.236 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.977 5.283 1.417 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.151 5.153 0.041 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.372 3.894 -0.520 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.557 0.338 0.098 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -0.884 -0.712 0.663 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.570 -1.194 0.509 0.00 0.00 +0.003 A ATOM 11 C LIG 1 4.355 -0.092 -0.242 0.00 0.00 +0.121 A ATOM 12 N LIG 1 3.071 0.415 -0.434 0.00 0.00 -0.239 N ATOM 13 C LIG 1 1.939 -0.173 0.128 0.00 0.00 +0.077 A ATOM 14 C LIG 1 0.843 0.585 -0.250 0.00 0.00 +0.064 A ATOM 15 C LIG 1 1.412 1.605 -1.041 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.136 -1.342 0.916 0.00 0.00 +0.029 A ATOM 17 N LIG 1 2.735 1.507 -1.166 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.380 -1.824 1.096 0.00 0.00 +0.012 A BRANCH 10 23 ATOM 19 C LIG 1 9.370 -2.372 0.091 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.005 -2.255 0.543 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.624 -2.889 1.667 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.331 -2.571 1.781 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.879 -1.737 0.733 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.998 -1.551 -0.052 0.00 0.00 +0.116 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.982 0.866 0.058 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.956 -0.157 0.005 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.055 1.384 -0.793 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.424 0.810 -0.391 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.571 -0.664 -0.691 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.350 -1.618 0.312 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.467 -2.982 0.033 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.807 -3.406 -1.254 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.028 -2.461 -2.260 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.909 -1.097 -1.981 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.928 -4.805 -1.543 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.028 -5.937 -1.782 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9