REMARK Name = BDB006385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.588 -1.715 -0.900 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.945 -2.492 0.074 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.541 -2.639 0.046 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.392 -3.331 0.878 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.657 -3.114 0.351 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.516 -2.313 -0.767 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.978 -3.599 0.843 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.072 -4.133 2.092 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.179 -2.012 -0.973 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.456 -1.243 -1.966 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.847 -1.107 -1.915 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.589 -0.393 -1.294 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -3.953 0.385 -1.399 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -4.068 -1.582 -0.827 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -4.745 -2.486 -0.350 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.992 -0.053 -1.103 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -6.115 0.851 0.117 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -6.284 0.264 1.383 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -6.371 1.049 2.533 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.282 2.435 2.438 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.098 3.034 1.194 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.009 2.249 0.041 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 -6.682 -0.470 -3.516 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -6.577 0.554 -2.392 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 2.607 -1.892 -1.647 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.445 -0.774 -1.068 0.00 0.00 -0.028 A ATOM 27 C LIG 1 2.864 0.389 -0.548 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.660 1.425 -0.048 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.059 1.332 -0.057 0.00 0.00 -0.017 A ATOM 30 C LIG 1 5.637 0.172 -0.597 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.843 -0.864 -1.098 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 5.901 2.417 0.476 0.00 0.00 -0.004 A ATOM 33 C LIG 1 5.815 2.897 1.800 0.00 0.00 +0.067 A ATOM 34 C LIG 1 6.610 3.972 2.230 0.00 0.00 +0.015 A ATOM 35 C LIG 1 7.521 4.567 1.361 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.635 4.098 0.057 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.833 3.039 -0.380 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 4.895 2.332 2.816 0.00 0.00 +0.337 C ATOM 39 O LIG 1 4.163 3.029 3.497 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 5.022 0.999 2.979 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 5.640 0.571 2.359 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9