REMARK Name = BDB011866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.675 0.930 -0.522 0.00 0.00 +0.180 C ATOM 2 C LIG 1 -1.538 0.165 -1.524 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -2.756 0.930 -2.070 0.00 0.00 +0.031 C ATOM 4 N LIG 1 -1.794 -1.162 -0.964 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -3.116 -1.570 -0.755 0.00 0.00 +0.223 C ATOM 6 O LIG 1 -3.663 -2.417 -1.460 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -0.683 -2.089 -0.846 0.00 0.00 +0.059 A ATOM 8 C LIG 1 0.705 -1.758 -0.985 0.00 0.00 +0.058 A ATOM 9 C LIG 1 1.630 -2.830 -0.826 0.00 0.00 +0.026 A ATOM 10 C LIG 1 1.259 -4.147 -0.548 0.00 0.00 +0.021 A ATOM 11 C LIG 1 -0.076 -4.458 -0.412 0.00 0.00 +0.054 A ATOM 12 N LIG 1 1.303 -0.444 -1.244 0.00 0.00 -0.264 N ATOM 13 C LIG 1 -1.022 -3.442 -0.555 0.00 0.00 +0.044 A ATOM 14 C LIG 1 0.732 0.821 -1.073 0.00 0.00 +0.242 C ATOM 15 O LIG 1 1.332 1.868 -1.355 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 16 ATOM 16 C LIG 1 -3.818 -0.927 0.453 0.00 0.00 +0.080 C ATOM 17 C LIG 1 -3.197 -1.371 1.782 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -3.676 -2.754 2.205 0.00 0.00 +0.160 C ATOM 19 O LIG 1 -5.098 -2.807 2.237 0.00 0.00 -0.380 OA ATOM 20 C LIG 1 -5.668 -2.595 0.946 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -5.328 -1.199 0.440 0.00 0.00 +0.041 C ENDBRANCH 5 16 BRANCH 1 23 ATOM 22 C LIG 1 -1.755 2.820 0.660 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -0.983 2.355 -0.379 0.00 0.00 -0.301 N ATOM 24 H LIG 1 -0.311 2.983 -0.815 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -2.391 2.051 1.383 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -1.857 4.363 0.788 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -0.483 5.024 0.858 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -3.454 5.850 1.867 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -2.599 4.683 2.027 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -3.178 3.870 2.265 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 11 31 ATOM 31 C LIG 1 -0.484 -5.802 -0.124 0.00 0.00 +0.099 C ATOM 32 N LIG 1 -0.803 -6.891 0.117 0.00 0.00 -0.191 NA ENDBRANCH 11 31 BRANCH 12 33 ATOM 33 C LIG 1 2.644 -0.399 -1.855 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 3.913 -0.328 -0.993 0.00 0.00 +0.020 A ATOM 35 C LIG 1 3.992 -0.211 0.443 0.00 0.00 -0.010 A ATOM 36 C LIG 1 5.282 -0.147 1.042 0.00 0.00 -0.017 A ATOM 37 C LIG 1 5.439 -0.032 2.434 0.00 0.00 +0.008 A ATOM 38 C LIG 1 4.340 0.022 3.283 0.00 0.00 +0.001 A ATOM 39 C LIG 1 3.070 -0.041 2.742 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.436 -0.198 0.258 0.00 0.00 +0.012 A ATOM 41 C LIG 1 6.363 -0.311 -1.123 0.00 0.00 +0.046 A ATOM 42 C LIG 1 2.905 -0.156 1.356 0.00 0.00 +0.009 A ATOM 43 C LIG 1 5.122 -0.371 -1.750 0.00 0.00 +0.125 A BRANCH 43 44 ATOM 44 O LIG 1 4.974 -0.490 -3.114 0.00 0.00 -0.495 OA ATOM 45 C LIG 1 6.138 -0.364 -3.923 0.00 0.00 +0.277 C ENDBRANCH 43 44 ENDBRANCH 33 34 ENDBRANCH 12 33 TORSDOF 8