REMARK Name = BDB025273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.072 -0.927 -1.067 0.00 0.00 -0.047 A ATOM 2 C LIG 1 -0.748 -0.634 -2.169 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -2.133 -0.901 -2.118 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.204 -0.704 -3.038 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -4.366 -1.148 -2.419 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -4.032 -1.625 -1.174 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -5.614 -1.117 -2.931 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -5.671 -0.607 -4.181 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -4.591 -0.137 -4.911 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -3.322 -0.178 -4.337 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.671 -1.467 -0.957 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -1.866 -1.770 0.153 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -0.496 -1.492 0.077 0.00 0.00 +0.006 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -4.972 -2.173 -0.197 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -6.043 -3.058 -0.813 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -5.800 -4.179 -1.259 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -7.327 -2.562 -0.841 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -8.011 -3.153 -1.293 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -7.748 -1.294 -0.533 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -8.905 -0.943 -0.745 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -6.714 -0.353 0.040 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -5.582 -1.107 0.718 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 23 ATOM 23 C LIG 1 1.550 -0.624 -1.121 0.00 0.00 +0.037 C BRANCH 23 24 ATOM 24 C LIG 1 1.875 0.871 -1.132 0.00 0.00 +0.033 C BRANCH 24 25 ATOM 25 C LIG 1 1.464 1.582 0.157 0.00 0.00 +0.160 C BRANCH 25 26 ATOM 26 O LIG 1 1.825 2.964 0.103 0.00 0.00 -0.378 OA BRANCH 26 27 ATOM 27 C LIG 1 3.161 3.231 0.534 0.00 0.00 +0.178 C BRANCH 27 28 ATOM 28 C LIG 1 3.232 3.378 2.057 0.00 0.00 +0.135 C BRANCH 28 30 ATOM 29 C LIG 1 5.548 2.634 2.619 0.00 0.00 +0.401 C ATOM 30 N LIG 1 4.581 3.591 2.540 0.00 0.00 -0.279 N ATOM 31 H LIG 1 4.895 4.526 2.765 0.00 0.00 +0.152 HD ATOM 32 O LIG 1 6.684 2.903 2.981 0.00 0.00 -0.226 OA BRANCH 29 33 ATOM 33 O LIG 1 5.097 1.415 2.242 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 6.502 -0.080 3.603 0.00 0.00 +0.055 C ATOM 35 C LIG 1 5.985 0.270 2.204 0.00 0.00 +0.107 C ATOM 36 C LIG 1 5.105 -0.884 1.697 0.00 0.00 +0.055 C ATOM 37 C LIG 1 7.128 0.485 1.204 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10