REMARK Name = BDB025435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.507 2.458 0.725 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -1.047 1.220 0.352 0.00 0.00 -0.185 N ATOM 3 C LIG 1 -2.313 0.694 0.693 0.00 0.00 +0.257 C ATOM 4 O LIG 1 -3.048 1.337 1.440 0.00 0.00 -0.270 OA ATOM 5 N LIG 1 -0.163 0.501 -0.413 0.00 0.00 -0.165 NA ATOM 6 C LIG 1 0.923 1.275 -0.482 0.00 0.00 +0.086 A ATOM 7 C LIG 1 2.165 0.894 -1.240 0.00 0.00 +0.165 C ATOM 8 N LIG 1 3.252 1.832 -0.879 0.00 0.00 -0.291 N ATOM 9 C LIG 1 2.872 3.256 -0.843 0.00 0.00 +0.113 C ATOM 10 C LIG 1 1.835 3.532 0.263 0.00 0.00 +0.059 C ATOM 11 C LIG 1 4.359 1.446 -0.124 0.00 0.00 +0.247 C ATOM 12 O LIG 1 4.986 2.221 0.595 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.761 2.502 0.203 0.00 0.00 +0.018 A ENDROOT BRANCH 3 14 ATOM 14 C LIG 1 -2.615 -0.677 0.102 0.00 0.00 +0.113 C ATOM 15 C LIG 1 -4.103 -0.910 -0.149 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -4.692 -2.149 0.169 0.00 0.00 +0.031 A ATOM 17 C LIG 1 -6.066 -2.322 -0.043 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -6.834 -1.324 -0.643 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -6.238 -0.128 -1.023 0.00 0.00 +0.000 A ATOM 20 N LIG 1 -3.974 -3.170 0.812 0.00 0.00 -0.344 N ATOM 21 H LIG 1 -4.365 -4.088 0.621 0.00 0.00 +0.146 HD ATOM 22 C LIG 1 -2.530 -3.111 0.665 0.00 0.00 +0.102 C ATOM 23 C LIG 1 -4.880 0.078 -0.781 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -2.034 -1.732 1.054 0.00 0.00 +0.036 C ENDBRANCH 3 14 BRANCH 11 25 ATOM 25 C LIG 1 4.829 0.044 -0.206 0.00 0.00 +0.037 A ATOM 26 C LIG 1 5.053 -0.563 -1.448 0.00 0.00 +0.013 A ATOM 27 C LIG 1 5.514 -1.879 -1.500 0.00 0.00 +0.001 A ATOM 28 C LIG 1 5.764 -2.578 -0.318 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.563 -1.963 0.919 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.102 -0.648 0.978 0.00 0.00 +0.013 A ENDBRANCH 11 25 BRANCH 1 31 ATOM 31 N LIG 1 -1.176 3.379 1.456 0.00 0.00 -0.343 N ATOM 32 H LIG 1 -2.056 3.111 1.912 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 -0.681 4.119 1.947 0.00 0.00 +0.144 HD ENDBRANCH 1 31 TORSDOF 3