REMARK Name = BDB000082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.721 -0.229 -0.215 0.00 0.00 -0.219 N ATOM 2 C LIG 1 -2.677 0.660 -0.138 0.00 0.00 +0.257 C ATOM 3 O LIG 1 -2.595 1.815 -0.516 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 -1.567 -0.014 0.533 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -2.021 -1.261 0.910 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -1.226 -2.158 1.595 0.00 0.00 +0.014 A ATOM 7 C LIG 1 0.072 -1.748 1.895 0.00 0.00 +0.003 A ATOM 8 C LIG 1 0.536 -0.472 1.504 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -0.279 0.431 0.802 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -3.406 -1.374 0.472 0.00 0.00 +0.255 C ATOM 11 O LIG 1 -4.107 -2.332 0.736 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -5.147 1.307 -1.621 0.00 0.00 +0.042 C ATOM 13 C LIG 1 -5.100 0.099 -0.656 0.00 0.00 +0.119 C ATOM 14 C LIG 1 -5.880 0.526 0.608 0.00 0.00 +0.243 C ATOM 15 O LIG 1 -5.364 1.043 1.596 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -7.236 0.360 0.533 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -7.755 0.780 1.294 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -7.769 -0.849 0.184 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -8.896 -1.169 0.554 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -6.858 -1.804 -0.546 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -5.801 -1.086 -1.378 0.00 0.00 +0.045 C ENDBRANCH 1 13 BRANCH 9 22 ATOM 22 N LIG 1 0.148 1.697 0.377 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -0.618 2.299 0.064 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 1.417 2.216 0.064 0.00 0.00 +0.032 A ATOM 25 C LIG 1 2.525 1.417 -0.239 0.00 0.00 +0.030 A ATOM 26 C LIG 1 3.792 1.975 -0.489 0.00 0.00 -0.009 A ATOM 27 C LIG 1 3.943 3.365 -0.438 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.852 4.176 -0.135 0.00 0.00 +0.002 A ATOM 29 C LIG 1 1.603 3.604 0.116 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 4.957 1.081 -0.843 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 O LIG 1 5.105 0.094 0.177 0.00 0.00 -0.487 OA BRANCH 31 32 ATOM 32 C LIG 1 6.093 -0.836 0.006 0.00 0.00 +0.121 A ATOM 33 C LIG 1 6.968 -0.918 -1.078 0.00 0.00 +0.045 A ATOM 34 C LIG 1 7.936 -1.927 -1.124 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.033 -2.856 -0.089 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.163 -2.777 0.996 0.00 0.00 +0.004 A ATOM 37 C LIG 1 6.197 -1.770 1.040 0.00 0.00 +0.045 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 9 22 TORSDOF 6