REMARK Name = BDB039176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.239 -1.762 -1.506 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.053 -2.144 -0.904 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.098 -1.089 -0.581 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.728 -1.578 -0.185 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.431 -2.956 -0.067 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.148 -3.384 0.300 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.127 -2.472 0.581 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.433 -1.110 0.469 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.310 0.046 0.637 0.00 0.00 -0.327 N ATOM 10 C LIG 1 0.551 1.123 0.508 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.745 0.705 0.131 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.493 -3.976 -0.392 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.697 -0.663 0.112 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.897 -3.410 -0.200 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.468 -0.629 -1.913 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.278 2.575 0.816 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -0.891 3.202 0.054 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -0.943 4.732 0.247 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -0.450 5.174 1.636 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -0.619 4.080 2.683 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.189 2.830 2.332 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -0.168 5.458 -0.835 0.00 0.00 +0.308 C ATOM 23 O LIG 1 0.495 4.964 -1.730 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.301 6.797 -0.750 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 0.236 7.132 -1.500 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.365 -2.429 -2.225 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.132 -2.786 -1.601 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.719 0.066 0.988 0.00 0.00 +0.127 C BRANCH 28 29 ATOM 29 C LIG 1 -2.691 0.188 -0.210 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.087 0.582 0.324 0.00 0.00 +0.008 C ATOM 31 C LIG 1 -5.214 0.085 -0.576 0.00 0.00 +0.032 C ATOM 32 C LIG 1 -5.229 -1.449 -0.656 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -3.816 -2.053 -0.614 0.00 0.00 +0.032 C ATOM 34 C LIG 1 -2.762 -1.068 -1.101 0.00 0.00 +0.008 C BRANCH 32 35 ATOM 35 O LIG 1 -5.997 -1.933 0.453 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -6.441 -3.274 0.283 0.00 0.00 +0.194 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 7