REMARK Name = BDB053298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.422 1.775 -1.298 0.00 0.00 +0.022 C ATOM 2 C LIG 1 1.720 0.333 -0.831 0.00 0.00 +0.031 C ATOM 3 C LIG 1 3.210 0.180 -0.645 0.00 0.00 +0.038 A ATOM 4 N LIG 1 4.154 0.353 -1.625 0.00 0.00 -0.357 N ATOM 5 H LIG 1 3.965 0.603 -2.587 0.00 0.00 +0.166 HD ATOM 6 C LIG 1 5.414 0.137 -1.113 0.00 0.00 +0.049 A ATOM 7 C LIG 1 5.263 -0.184 0.238 0.00 0.00 +0.011 A ATOM 8 C LIG 1 6.418 -0.454 1.000 0.00 0.00 +0.012 A ATOM 9 C LIG 1 7.678 -0.395 0.392 0.00 0.00 +0.019 A ATOM 10 C LIG 1 7.801 -0.071 -0.961 0.00 0.00 +0.054 A ATOM 11 C LIG 1 6.666 0.201 -1.740 0.00 0.00 +0.045 A ATOM 12 C LIG 1 3.868 -0.154 0.521 0.00 0.00 +0.051 A ATOM 13 C LIG 1 3.155 -0.406 1.757 0.00 0.00 +0.196 C ATOM 14 O LIG 1 3.721 -0.703 2.803 0.00 0.00 -0.287 OA ATOM 15 C LIG 1 1.664 -0.284 1.690 0.00 0.00 +0.026 A ATOM 16 C LIG 1 0.946 -0.525 2.872 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -0.445 -0.432 2.891 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -1.152 -0.095 1.732 0.00 0.00 -0.044 A ATOM 19 C LIG 1 -0.428 0.144 0.551 0.00 0.00 +0.009 A ATOM 20 C LIG 1 0.981 0.057 0.499 0.00 0.00 -0.025 A ATOM 21 C LIG 1 1.246 -0.672 -1.903 0.00 0.00 +0.022 C ENDROOT BRANCH 18 22 ATOM 22 C LIG 1 -2.670 -0.010 1.774 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -3.187 1.394 1.421 0.00 0.00 +0.023 C ATOM 24 C LIG 1 -4.627 1.330 0.923 0.00 0.00 +0.085 C ATOM 25 N LIG 1 -4.718 0.589 -0.339 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 -3.874 -0.611 -0.411 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -3.353 -1.109 0.940 0.00 0.00 +0.023 C BRANCH 25 28 ATOM 28 C LIG 1 -6.135 0.465 -0.748 0.00 0.00 +0.108 C ATOM 29 C LIG 1 -6.850 -0.788 -0.233 0.00 0.00 +0.181 C ATOM 30 O LIG 1 -6.851 -1.387 -1.555 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 -6.297 -0.174 -2.132 0.00 0.00 +0.181 C ENDBRANCH 25 28 ENDBRANCH 18 22 BRANCH 10 32 ATOM 32 C LIG 1 9.101 -0.016 -1.566 0.00 0.00 +0.099 C ATOM 33 N LIG 1 10.149 0.032 -2.063 0.00 0.00 -0.191 NA ENDBRANCH 10 32 TORSDOF 3