REMARK Name = BDB042007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.083 1.027 -1.111 0.00 0.00 -0.018 A ATOM 2 C LIG 1 1.706 -0.006 -1.983 0.00 0.00 +0.009 A ATOM 3 C LIG 1 0.358 -0.269 -2.249 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.650 0.493 -1.645 0.00 0.00 -0.033 A ATOM 5 C LIG 1 -0.283 1.528 -0.778 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.066 1.789 -0.514 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 N LIG 1 7.896 0.588 0.522 0.00 0.00 -0.282 N ATOM 8 C LIG 1 7.594 1.858 0.051 0.00 0.00 +0.248 C ATOM 9 O LIG 1 8.339 2.812 -0.058 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 6.170 1.851 -0.301 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.680 0.564 -0.101 0.00 0.00 -0.017 A ATOM 12 C LIG 1 4.350 0.274 -0.361 0.00 0.00 +0.014 A ATOM 13 C LIG 1 3.502 1.300 -0.827 0.00 0.00 -0.018 A ATOM 14 C LIG 1 4.037 2.600 -1.021 0.00 0.00 +0.009 A ATOM 15 C LIG 1 5.381 2.885 -0.760 0.00 0.00 +0.014 A ATOM 16 C LIG 1 6.773 -0.331 0.379 0.00 0.00 +0.144 C BRANCH 7 23 ATOM 17 O LIG 1 12.324 -2.601 1.012 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 11.477 -1.716 0.947 0.00 0.00 +0.219 C ATOM 19 N LIG 1 11.033 -1.248 -0.264 0.00 0.00 -0.255 N ATOM 20 H LIG 1 11.393 -1.749 -1.066 0.00 0.00 +0.158 HD ATOM 21 C LIG 1 9.843 -0.593 -0.484 0.00 0.00 +0.240 C ATOM 22 O LIG 1 9.308 -0.635 -1.589 0.00 0.00 -0.273 OA ATOM 23 C LIG 1 9.270 0.151 0.735 0.00 0.00 +0.163 C ATOM 24 C LIG 1 9.416 -0.734 1.969 0.00 0.00 +0.041 C ATOM 25 C LIG 1 10.885 -1.071 2.178 0.00 0.00 +0.098 C ENDBRANCH 7 23 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 -2.110 0.216 -1.944 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 -2.511 -1.172 -1.657 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 -2.495 -1.481 -0.211 0.00 0.00 +0.100 C ATOM 29 C LIG 1 -3.632 -0.827 0.612 0.00 0.00 +0.100 C ATOM 30 N LIG 1 -4.959 -1.129 0.054 0.00 0.00 -0.289 NA ATOM 31 C LIG 1 -5.016 -0.777 -1.373 0.00 0.00 +0.100 C ATOM 32 C LIG 1 -3.871 -1.446 -2.174 0.00 0.00 +0.100 C BRANCH 30 33 ATOM 33 C LIG 1 -6.078 -0.622 0.887 0.00 0.00 +0.117 C BRANCH 33 34 ATOM 34 C LIG 1 -7.382 -1.434 0.730 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -8.588 -0.969 1.291 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -9.767 -1.715 1.199 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.761 -2.954 0.566 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.575 -3.453 0.037 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.396 -2.707 0.129 0.00 0.00 +0.005 A ENDBRANCH 33 34 BRANCH 33 40 ATOM 40 C LIG 1 -6.258 0.903 0.825 0.00 0.00 -0.026 A ATOM 41 C LIG 1 -5.668 1.717 1.808 0.00 0.00 +0.005 A ATOM 42 C LIG 1 -5.812 3.106 1.768 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -6.547 3.703 0.747 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -7.141 2.913 -0.235 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -6.998 1.525 -0.197 0.00 0.00 +0.005 A ENDBRANCH 33 40 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 7