REMARK Name = BDB024781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.167 -3.981 -1.151 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.294 -2.682 -0.630 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.561 -2.297 0.025 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.541 -2.657 1.516 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.913 -0.835 -0.230 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.818 0.073 0.279 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.467 -0.375 -0.200 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.397 0.551 -0.194 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -2.403 1.872 0.188 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.172 2.307 0.017 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.362 1.305 -0.480 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.131 0.171 -0.613 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.854 -1.123 -1.042 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.915 -2.041 -1.036 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.220 -1.707 -0.633 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.233 -4.423 -1.810 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.178 -6.100 -1.359 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.250 -4.766 -0.854 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.035 1.440 -0.860 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.011 1.225 0.310 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 2.326 -0.188 0.587 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 2.967 -0.361 1.910 0.00 0.00 +0.100 C ATOM 23 C LIG 1 4.505 -0.497 1.858 0.00 0.00 +0.100 C ATOM 24 N LIG 1 4.941 -1.673 1.085 0.00 0.00 -0.297 NA ATOM 25 C LIG 1 4.012 -1.991 -0.011 0.00 0.00 +0.100 C ATOM 26 C LIG 1 3.156 -0.791 -0.482 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 6.372 -1.645 0.753 0.00 0.00 +0.051 C ATOM 28 C LIG 1 6.884 -3.067 0.493 0.00 0.00 +0.024 C ATOM 29 C LIG 1 6.750 -0.724 -0.414 0.00 0.00 +0.024 C ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.724 3.701 0.300 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 -1.067 4.619 -0.865 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 -0.490 5.937 -0.685 0.00 0.00 -0.271 N ATOM 33 N LIG 1 0.837 6.109 -0.851 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 1.015 7.412 -0.618 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -0.188 8.069 -0.300 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -1.147 7.085 -0.351 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 8