REMARK Name = BDB002302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.241 -1.573 -0.960 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.108 -2.273 -1.310 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -0.225 -2.156 -0.720 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -0.960 -3.388 -1.248 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.354 -3.575 -2.638 0.00 0.00 +0.021 C ATOM 6 C LIG 1 1.103 -3.170 -2.453 0.00 0.00 +0.109 C ATOM 7 O LIG 1 3.289 -1.667 -1.610 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.950 -0.871 -1.180 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -1.999 -0.511 -0.366 0.00 0.00 -0.303 N ATOM 10 H LIG 1 -2.240 -1.068 0.441 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -0.632 -0.243 -2.186 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.866 0.621 -0.664 0.00 0.00 +0.134 C BRANCH 12 13 ATOM 13 C LIG 1 -4.185 0.064 -1.192 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -4.580 0.336 -2.512 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.774 -0.180 -3.020 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.586 -0.979 -2.219 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.207 -1.267 -0.909 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.013 -0.753 -0.399 0.00 0.00 +0.006 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -2.957 1.559 0.541 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -1.783 1.898 1.242 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -1.811 2.779 2.324 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.014 3.354 2.721 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.183 3.060 2.026 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.154 2.180 0.938 0.00 0.00 +0.006 A ENDBRANCH 12 19 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 2.198 -0.709 0.322 0.00 0.00 +0.162 C BRANCH 25 27 ATOM 26 C LIG 1 2.889 1.672 0.479 0.00 0.00 +0.230 C ATOM 27 N LIG 1 3.179 0.360 0.165 0.00 0.00 -0.302 N ATOM 28 H LIG 1 3.963 0.155 -0.448 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 1.851 1.993 1.057 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 3.979 2.679 0.049 0.00 0.00 +0.137 C ATOM 31 C LIG 1 3.324 4.022 -0.279 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 5.824 1.738 1.360 0.00 0.00 +0.101 C ATOM 33 N LIG 1 4.976 2.896 1.121 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 5.563 3.689 0.867 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 25 27 BRANCH 25 35 ATOM 35 C LIG 1 2.446 -1.573 1.582 0.00 0.00 +0.012 C ATOM 36 C LIG 1 2.162 -0.785 2.864 0.00 0.00 +0.009 C ATOM 37 C LIG 1 3.855 -2.173 1.642 0.00 0.00 +0.009 C ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 9