REMARK Name = BDB011969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.680 1.664 -0.033 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.643 1.007 -0.999 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.544 1.683 -1.514 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.499 -0.359 -1.264 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.429 -1.230 -0.784 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.290 -1.135 0.448 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.113 -2.230 0.821 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.377 -3.305 -0.022 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.808 -3.324 -1.274 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.215 -0.052 1.397 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.179 0.252 2.380 0.00 0.00 +0.251 C ATOM 12 O LIG 1 0.898 0.808 3.442 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -0.077 -2.308 -1.634 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.850 0.920 1.278 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.626 0.035 2.106 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.188 0.341 0.860 0.00 0.00 +0.014 A ATOM 17 C LIG 1 4.556 0.151 0.643 0.00 0.00 +0.016 A ATOM 18 C LIG 1 5.376 -0.331 1.674 0.00 0.00 +0.059 A ATOM 19 C LIG 1 4.813 -0.610 2.928 0.00 0.00 +0.016 A ATOM 20 C LIG 1 3.446 -0.417 3.147 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 6.836 -0.556 1.495 0.00 0.00 +0.339 C ATOM 22 O LIG 1 7.552 -1.049 2.352 0.00 0.00 -0.245 OA BRANCH 21 23 ATOM 23 O LIG 1 7.238 -0.141 0.268 0.00 0.00 -0.464 OA ATOM 24 C LIG 1 8.635 -0.315 0.025 0.00 0.00 +0.280 C ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 -0.251 4.061 -0.523 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -0.996 3.083 0.100 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -1.952 3.356 0.318 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 0.833 3.839 -1.056 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -0.949 5.442 -0.545 0.00 0.00 +0.137 C ATOM 30 C LIG 1 0.034 6.574 -0.832 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -1.004 5.835 1.887 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -1.784 5.653 0.666 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -2.347 6.492 0.521 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 -2.518 -0.900 -2.212 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 -3.161 -2.248 -1.869 0.00 0.00 -0.019 A ATOM 36 C LIG 1 -3.736 -2.490 -0.578 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -4.190 -3.795 -0.258 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -4.710 -4.079 1.016 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -4.827 -3.084 1.983 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -4.441 -1.788 1.677 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -4.137 -4.807 -1.219 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -3.687 -4.542 -2.508 0.00 0.00 +0.004 A ATOM 43 C LIG 1 -3.914 -1.498 0.415 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -3.226 -3.267 -2.858 0.00 0.00 -0.045 A ATOM 45 C LIG 1 -2.816 -3.045 -4.292 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 8