REMARK Name = BDB054867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.607 -0.625 -1.863 0.00 0.00 +0.094 A ATOM 2 N LIG 1 0.633 -0.547 -0.941 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 -0.376 -1.274 -1.442 0.00 0.00 -0.263 N ATOM 4 H LIG 1 -1.207 -1.369 -0.869 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 -0.118 -1.807 -2.675 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.172 -1.419 -2.961 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.385 1.353 -1.289 0.00 0.00 -0.030 A ATOM 8 C LIG 1 5.156 0.581 -2.434 0.00 0.00 +0.006 A ATOM 9 C LIG 1 3.926 -0.063 -2.626 0.00 0.00 +0.010 A ATOM 10 C LIG 1 2.902 0.045 -1.674 0.00 0.00 +0.002 A ATOM 11 C LIG 1 3.143 0.812 -0.525 0.00 0.00 +0.010 A ATOM 12 C LIG 1 4.370 1.456 -0.332 0.00 0.00 +0.006 A BRANCH 7 13 ATOM 13 C LIG 1 6.713 2.029 -1.065 0.00 0.00 +0.142 C BRANCH 13 15 ATOM 14 C LIG 1 7.708 1.447 1.102 0.00 0.00 +0.401 C ATOM 15 N LIG 1 7.566 1.224 -0.231 0.00 0.00 -0.277 N ATOM 16 H LIG 1 7.879 0.322 -0.558 0.00 0.00 +0.152 HD ATOM 17 O LIG 1 7.258 2.402 1.716 0.00 0.00 -0.226 OA BRANCH 14 18 ATOM 18 O LIG 1 8.427 0.432 1.641 0.00 0.00 -0.451 OA BRANCH 18 20 ATOM 19 C LIG 1 9.888 1.335 3.349 0.00 0.00 +0.048 C ATOM 20 C LIG 1 8.649 0.509 3.056 0.00 0.00 +0.230 C ENDBRANCH 18 20 ENDBRANCH 14 18 ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 5 21 ATOM 21 N LIG 1 -0.943 -2.605 -3.443 0.00 0.00 -0.267 N ATOM 22 H LIG 1 -0.518 -3.078 -4.235 0.00 0.00 +0.157 HD ATOM 23 C LIG 1 -2.245 -2.992 -3.222 0.00 0.00 +0.249 C ATOM 24 O LIG 1 -2.728 -3.933 -3.849 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -3.107 -2.270 -2.270 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -3.348 -0.906 -2.422 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.162 -0.241 -1.496 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.764 -0.910 -0.415 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -4.523 -2.292 -0.318 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -3.713 -2.974 -1.234 0.00 0.00 +0.015 A BRANCH 28 31 ATOM 31 N LIG 1 -5.560 -0.246 0.501 0.00 0.00 -0.327 N ATOM 32 C LIG 1 -5.822 -0.794 1.843 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -6.122 0.332 2.862 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -7.226 1.246 2.504 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 -8.465 0.901 3.195 0.00 0.00 +0.105 C ATOM 36 C LIG 1 -7.439 1.287 1.042 0.00 0.00 +0.103 C ATOM 37 C LIG 1 -6.155 1.071 0.208 0.00 0.00 +0.120 C ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 5 21 TORSDOF 8