REMARK Name = BDB043748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.273 -0.219 -1.524 0.00 0.00 +0.156 C ATOM 2 C LIG 1 0.064 0.879 -2.528 0.00 0.00 +0.038 C ENDROOT BRANCH 1 5 ATOM 3 N LIG 1 2.030 -0.673 -0.761 0.00 0.00 -0.308 N ATOM 4 H LIG 1 2.240 -0.751 -1.749 0.00 0.00 +0.149 HD ATOM 5 C LIG 1 0.770 -0.251 -0.393 0.00 0.00 +0.233 C ATOM 6 O LIG 1 0.513 0.103 0.760 0.00 0.00 -0.274 OA BRANCH 3 7 ATOM 7 C LIG 1 3.166 -0.633 0.182 0.00 0.00 +0.106 C BRANCH 7 8 ATOM 8 C LIG 1 3.759 0.812 0.235 0.00 0.00 +0.146 C BRANCH 8 9 ATOM 9 O LIG 1 2.723 1.790 0.447 0.00 0.00 -0.389 OA ATOM 10 H LIG 1 2.002 1.365 0.960 0.00 0.00 +0.210 HD ENDBRANCH 8 9 BRANCH 8 11 ATOM 11 C LIG 1 4.807 1.040 1.320 0.00 0.00 +0.160 C BRANCH 11 12 ATOM 12 P LIG 1 6.415 1.428 0.640 0.00 0.00 +0.335 P ATOM 13 O LIG 1 6.776 0.711 -0.626 0.00 0.00 -0.258 OA BRANCH 12 14 ATOM 14 O LIG 1 7.429 1.156 1.865 0.00 0.00 -0.311 OA ATOM 15 C LIG 1 8.809 1.280 1.590 0.00 0.00 +0.204 C ENDBRANCH 12 14 BRANCH 12 17 ATOM 16 C LIG 1 5.738 3.649 -0.529 0.00 0.00 +0.204 C ATOM 17 O LIG 1 6.463 3.036 0.517 0.00 0.00 -0.311 OA ENDBRANCH 12 17 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 7 8 BRANCH 7 18 ATOM 18 C LIG 1 4.185 -1.722 -0.232 0.00 0.00 +0.060 C BRANCH 18 19 ATOM 19 C LIG 1 5.051 -2.273 0.875 0.00 0.00 -0.046 A ATOM 20 C LIG 1 6.447 -2.261 0.755 0.00 0.00 +0.004 A ATOM 21 C LIG 1 7.253 -2.769 1.774 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.673 -3.314 2.917 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.286 -3.359 3.037 0.00 0.00 +0.000 A ATOM 24 C LIG 1 4.479 -2.849 2.019 0.00 0.00 +0.004 A ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 3 7 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 N LIG 1 -1.581 0.004 -0.924 0.00 0.00 -0.303 N ATOM 26 H LIG 1 -1.590 0.428 0.003 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -2.756 -0.298 -1.563 0.00 0.00 +0.234 C ATOM 28 O LIG 1 -2.786 -0.794 -2.691 0.00 0.00 -0.274 OA BRANCH 27 29 ATOM 29 C LIG 1 -4.039 0.042 -0.779 0.00 0.00 +0.166 C BRANCH 29 30 ATOM 30 N LIG 1 -5.123 -0.720 -1.385 0.00 0.00 -0.269 N ATOM 31 H LIG 1 -4.989 -1.109 -2.312 0.00 0.00 +0.153 HD ATOM 32 C LIG 1 -6.275 -1.012 -0.732 0.00 0.00 +0.401 C ATOM 33 O LIG 1 -6.537 -0.645 0.403 0.00 0.00 -0.226 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.060 -1.760 -1.537 0.00 0.00 -0.445 OA BRANCH 34 35 ATOM 35 C LIG 1 -8.361 -2.218 -1.087 0.00 0.00 +0.107 C ATOM 36 C LIG 1 -8.234 -3.155 0.119 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -9.299 -1.040 -0.801 0.00 0.00 +0.055 C ATOM 38 C LIG 1 -8.925 -3.018 -2.272 0.00 0.00 +0.055 C ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 C LIG 1 -4.335 1.551 -0.819 0.00 0.00 +0.067 C BRANCH 39 40 ATOM 40 C LIG 1 -3.442 2.366 0.087 0.00 0.00 -0.045 A ATOM 41 C LIG 1 -2.451 3.201 -0.449 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -1.597 3.912 0.394 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -1.731 3.805 1.777 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -2.723 2.991 2.319 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -3.577 2.276 1.479 0.00 0.00 +0.004 A ENDBRANCH 39 40 ENDBRANCH 29 39 ENDBRANCH 27 29 ENDBRANCH 1 25 TORSDOF 17