REMARK Name = BDB045399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.516 1.484 -0.827 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -2.061 0.340 -1.724 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -2.643 0.886 -3.048 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -3.424 2.113 -2.841 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -4.143 1.894 -2.145 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -2.593 3.204 -2.318 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -1.285 2.756 -1.654 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 1.871 0.029 1.484 0.00 0.00 +0.121 A ATOM 9 C LIG 1 2.092 0.703 0.285 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.012 1.184 -0.469 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.307 1.007 -0.033 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -0.518 0.319 1.171 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.559 -0.160 1.920 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 2.824 -0.486 2.317 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 4.195 -0.360 1.942 0.00 0.00 +0.270 C BRANCH 15 16 ATOM 16 C LIG 1 4.773 0.984 2.382 0.00 0.00 +0.273 C BRANCH 16 17 ATOM 17 O LIG 1 6.180 1.067 2.102 0.00 0.00 -0.458 OA BRANCH 17 19 ATOM 18 O LIG 1 5.702 1.529 -0.092 0.00 0.00 -0.245 OA ATOM 19 C LIG 1 6.499 1.366 0.818 0.00 0.00 +0.339 C BRANCH 19 20 ATOM 20 C LIG 1 7.974 1.461 0.650 0.00 0.00 +0.059 A ATOM 21 C LIG 1 8.476 1.755 -0.626 0.00 0.00 +0.015 A ATOM 22 C LIG 1 9.853 1.855 -0.835 0.00 0.00 +0.001 A ATOM 23 C LIG 1 10.736 1.662 0.227 0.00 0.00 +0.000 A ATOM 24 C LIG 1 10.245 1.369 1.499 0.00 0.00 +0.001 A ATOM 25 C LIG 1 8.867 1.269 1.713 0.00 0.00 +0.015 A ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -3.095 -0.328 -0.977 0.00 0.00 -0.370 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.200 -1.713 -1.294 0.00 0.00 +0.195 C BRANCH 27 28 ATOM 28 C LIG 1 -4.355 -2.284 -0.517 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -5.674 -2.003 -0.905 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.769 -2.520 -0.192 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -6.535 -3.333 0.940 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -7.630 -3.850 1.652 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -8.937 -3.569 1.253 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -9.168 -2.768 0.139 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.214 -3.601 1.330 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -8.091 -2.246 -0.579 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -4.135 -3.080 0.612 0.00 0.00 +0.006 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 10