REMARK Name = BDB034661 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.228 -0.876 1.561 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.615 -1.035 1.383 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -0.258 -0.693 2.685 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.385 -1.022 0.117 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.517 -2.413 -0.524 0.00 0.00 +0.038 C ATOM 6 C LIG 1 3.315 -2.384 -1.837 0.00 0.00 +0.092 C ATOM 7 C LIG 1 2.908 -1.202 -2.735 0.00 0.00 +0.094 C ATOM 8 N LIG 1 2.909 0.107 -2.064 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.858 0.319 -1.749 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.013 0.086 -0.896 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.787 -2.425 -1.597 0.00 0.00 +0.221 A ATOM 12 O LIG 1 5.400 -1.315 -1.071 0.00 0.00 -0.427 OA ATOM 13 C LIG 1 6.695 -1.730 -1.003 0.00 0.00 +0.332 A ATOM 14 N LIG 1 6.875 -2.955 -1.433 0.00 0.00 -0.116 NA ATOM 15 N LIG 1 5.632 -3.411 -1.820 0.00 0.00 -0.112 NA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 17 ATOM 16 C LIG 1 -1.793 0.066 0.398 0.00 0.00 +0.059 A ATOM 17 C LIG 1 -0.740 -0.876 0.419 0.00 0.00 +0.146 A ATOM 18 N LIG 1 -0.565 -1.854 -0.509 0.00 0.00 -0.248 NA ATOM 19 C LIG 1 -1.441 -1.877 -1.536 0.00 0.00 +0.115 A ATOM 20 C LIG 1 -2.485 -0.974 -1.718 0.00 0.00 -0.024 A ATOM 21 C LIG 1 -2.636 0.001 -0.717 0.00 0.00 +0.030 A BRANCH 20 22 ATOM 22 C LIG 1 -3.419 -1.056 -2.898 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -2.868 -1.009 -4.304 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -3.643 0.157 -3.772 0.00 0.00 +0.009 C ENDBRANCH 20 22 BRANCH 16 25 ATOM 25 N LIG 1 -1.899 1.077 1.390 0.00 0.00 -0.339 N ATOM 26 H LIG 1 -1.448 0.739 2.255 0.00 0.00 +0.146 HD BRANCH 25 29 ATOM 27 C LIG 1 -4.701 2.910 0.912 0.00 0.00 +0.121 C ATOM 28 C LIG 1 -4.343 1.621 1.692 0.00 0.00 +0.054 C ATOM 29 C LIG 1 -2.879 2.076 1.680 0.00 0.00 +0.075 C ATOM 30 C LIG 1 -3.201 3.073 0.562 0.00 0.00 +0.054 C BRANCH 27 32 ATOM 31 C LIG 1 -6.652 3.879 1.986 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -5.268 3.991 1.686 0.00 0.00 -0.380 OA ENDBRANCH 27 32 ENDBRANCH 25 29 ENDBRANCH 16 25 ENDBRANCH 1 17 BRANCH 2 33 ATOM 33 C LIG 1 2.409 -1.133 2.610 0.00 0.00 +0.112 C BRANCH 33 34 ATOM 34 C LIG 1 2.874 0.226 3.045 0.00 0.00 +0.006 C ATOM 35 C LIG 1 4.227 0.766 2.651 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.972 0.349 4.072 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 9