REMARK Name = BDB034241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.057 -2.044 2.436 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.971 -1.743 1.583 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.466 -0.436 1.647 0.00 0.00 +0.051 A ATOM 4 C LIG 1 2.533 -0.103 0.833 0.00 0.00 -0.015 A ATOM 5 C LIG 1 3.238 1.199 0.669 0.00 0.00 +0.144 C ATOM 6 N LIG 1 4.323 0.864 -0.243 0.00 0.00 -0.282 N ATOM 7 C LIG 1 4.202 -0.427 -0.738 0.00 0.00 +0.248 C ATOM 8 O LIG 1 4.856 -0.968 -1.609 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.096 -1.059 -0.010 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.636 -2.360 -0.080 0.00 0.00 +0.017 A ATOM 11 C LIG 1 1.560 -2.705 0.743 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 5.161 1.900 -0.837 0.00 0.00 +0.163 C ATOM 13 C LIG 1 4.538 2.453 -2.128 0.00 0.00 +0.240 C ATOM 14 O LIG 1 3.325 2.539 -2.312 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 5.417 2.978 -3.046 0.00 0.00 -0.255 N ATOM 16 H LIG 1 4.999 3.373 -3.878 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.769 3.165 -2.905 0.00 0.00 +0.219 C ATOM 18 O LIG 1 7.410 3.806 -3.734 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 7.399 2.630 -1.641 0.00 0.00 +0.098 C ATOM 20 C LIG 1 6.605 1.461 -1.081 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -2.437 -1.661 1.976 0.00 0.00 +0.097 C ATOM 22 C LIG 1 -1.214 -2.618 1.792 0.00 0.00 +0.190 C ATOM 23 C LIG 1 -1.455 -3.971 2.476 0.00 0.00 +0.046 C ATOM 24 C LIG 1 -2.750 -4.630 2.027 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -3.938 -3.703 2.244 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -3.737 -2.370 1.526 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 -2.793 1.231 0.159 0.00 0.00 +0.048 C ATOM 28 C LIG 1 -2.310 -0.235 -0.079 0.00 0.00 +0.094 C ATOM 29 N LIG 1 -2.133 -0.344 1.381 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -3.165 0.685 1.579 0.00 0.00 +0.094 C BRANCH 27 32 ATOM 31 C LIG 1 -3.965 1.797 -2.164 0.00 0.00 +0.055 A ATOM 32 C LIG 1 -3.950 1.861 -0.749 0.00 0.00 -0.025 A ATOM 33 C LIG 1 -5.023 2.566 -0.153 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.053 3.143 -0.902 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.044 3.046 -2.286 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.001 2.377 -2.917 0.00 0.00 +0.019 A BRANCH 31 38 ATOM 37 N LIG 1 -2.075 0.586 -3.470 0.00 0.00 -0.191 NA ATOM 38 C LIG 1 -2.911 1.135 -2.882 0.00 0.00 +0.099 C ENDBRANCH 31 38 ENDBRANCH 27 32 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6