REMARK Name = BDB019868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.705 0.829 0.351 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.576 1.914 0.496 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.686 2.044 -0.345 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -2.940 1.061 -1.311 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.096 -0.053 -1.450 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.972 -0.152 -0.615 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.593 3.178 -0.208 0.00 0.00 +0.069 A ATOM 8 N LIG 1 -3.274 4.500 -0.448 0.00 0.00 -0.261 N ATOM 9 N LIG 1 -4.312 5.341 -0.232 0.00 0.00 -0.179 NA ATOM 10 C LIG 1 -5.308 4.539 0.139 0.00 0.00 +0.135 A ATOM 11 C LIG 1 -4.925 3.190 0.161 0.00 0.00 +0.049 A BRANCH 8 12 ATOM 12 C LIG 1 -2.003 5.051 -0.917 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -2.175 5.856 -2.206 0.00 0.00 +0.032 C ATOM 14 C LIG 1 -1.330 5.885 0.173 0.00 0.00 +0.032 C ENDBRANCH 8 12 ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.557 0.070 0.766 0.00 0.00 -0.303 N ATOM 16 H LIG 1 1.546 -0.361 -0.149 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.470 0.736 1.263 0.00 0.00 +0.245 C ATOM 18 O LIG 1 0.429 1.244 2.377 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.687 -0.349 1.575 0.00 0.00 +0.125 C BRANCH 19 23 ATOM 20 C LIG 1 4.998 -4.767 2.422 0.00 0.00 +0.044 C ATOM 21 C LIG 1 4.177 -3.864 1.552 0.00 0.00 -0.047 A ATOM 22 C LIG 1 3.840 -2.576 1.981 0.00 0.00 +0.028 A ATOM 23 C LIG 1 3.102 -1.752 1.135 0.00 0.00 +0.062 A ATOM 24 N LIG 1 2.714 -2.146 -0.114 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 3.051 -3.392 -0.506 0.00 0.00 +0.111 A ATOM 26 C LIG 1 3.779 -4.271 0.277 0.00 0.00 +0.023 A ENDBRANCH 19 23 BRANCH 19 27 ATOM 27 C LIG 1 3.824 0.614 1.345 0.00 0.00 +0.015 C ATOM 28 C LIG 1 3.833 1.963 2.025 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.825 0.913 2.437 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.381 -1.102 -2.507 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -2.325 -2.448 -1.973 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -1.254 -3.344 -2.107 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -0.139 -3.213 -2.730 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -0.095 -2.300 -3.179 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -1.651 -4.463 -1.368 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -0.772 -5.569 -1.085 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -2.879 -4.226 -0.771 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -3.295 -3.010 -1.146 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8