REMARK Name = BDB048184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.231 -2.354 0.294 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.589 -2.358 0.109 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -2.402 -1.225 0.137 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.798 -1.329 -0.037 0.00 0.00 -0.024 A ATOM 5 C LIG 1 -4.372 -2.601 -0.273 0.00 0.00 -0.042 A ATOM 6 C LIG 1 -3.534 -3.727 -0.329 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -2.156 -3.603 -0.149 0.00 0.00 +0.046 A BRANCH 4 8 ATOM 8 C LIG 1 -4.624 -0.068 0.002 0.00 0.00 +0.143 C BRANCH 8 9 ATOM 9 N LIG 1 -4.999 0.347 -1.325 0.00 0.00 -0.277 N ATOM 10 H LIG 1 -4.524 -0.035 -2.129 0.00 0.00 +0.152 HD ATOM 11 C LIG 1 -5.949 1.279 -1.606 0.00 0.00 +0.401 C ATOM 12 O LIG 1 -6.243 1.579 -2.756 0.00 0.00 -0.226 OA BRANCH 11 13 ATOM 13 O LIG 1 -6.503 1.815 -0.488 0.00 0.00 -0.448 OA BRANCH 13 14 ATOM 14 C LIG 1 -7.535 2.800 -0.696 0.00 0.00 +0.172 C ATOM 15 C LIG 1 -8.880 2.094 -0.811 0.00 0.00 +0.052 C ATOM 16 C LIG 1 -7.510 3.733 0.505 0.00 0.00 +0.052 C ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 8 9 ENDBRANCH 4 8 BRANCH 5 17 ATOM 17 C LIG 1 -5.864 -2.814 -0.428 0.00 0.00 +0.046 C BRANCH 17 18 ATOM 18 C LIG 1 -6.533 -3.063 0.919 0.00 0.00 +0.125 C BRANCH 18 19 ATOM 19 C LIG 1 -8.011 -3.221 0.732 0.00 0.00 +0.305 C ATOM 20 O LIG 1 -8.615 -4.274 0.582 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 -8.659 -2.042 0.720 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 -9.601 -2.286 0.587 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 5 17 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 C LIG 1 0.257 -1.351 1.196 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 1.634 -1.777 1.698 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 25 C LIG 1 2.484 -2.970 -1.357 0.00 0.00 +0.088 C ATOM 26 C LIG 1 3.058 -1.938 -0.475 0.00 0.00 +0.126 A ATOM 27 C LIG 1 2.735 -1.421 0.762 0.00 0.00 +0.086 A ATOM 28 N LIG 1 3.652 -0.452 1.108 0.00 0.00 -0.214 NA ATOM 29 C LIG 1 4.501 -0.432 0.099 0.00 0.00 +0.228 A ATOM 30 O LIG 1 4.186 -1.302 -0.913 0.00 0.00 -0.440 OA BRANCH 29 31 ATOM 31 C LIG 1 5.720 0.355 -0.056 0.00 0.00 +0.037 A ATOM 32 C LIG 1 6.063 1.294 0.925 0.00 0.00 +0.014 A ATOM 33 C LIG 1 7.251 2.031 0.834 0.00 0.00 +0.009 A ATOM 34 C LIG 1 8.136 1.847 -0.239 0.00 0.00 -0.018 A ATOM 35 C LIG 1 7.779 0.924 -1.233 0.00 0.00 +0.009 A ATOM 36 C LIG 1 6.588 0.186 -1.144 0.00 0.00 +0.014 A BRANCH 34 37 ATOM 37 C LIG 1 9.415 2.577 -0.300 0.00 0.00 -0.018 A ATOM 38 C LIG 1 10.301 2.556 0.792 0.00 0.00 +0.008 A ATOM 39 C LIG 1 11.519 3.240 0.748 0.00 0.00 +0.001 A ATOM 40 C LIG 1 11.873 3.958 -0.393 0.00 0.00 +0.000 A ATOM 41 C LIG 1 11.010 3.992 -1.487 0.00 0.00 +0.001 A ATOM 42 C LIG 1 9.793 3.304 -1.442 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 14