REMARK Name = BDB029694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.954 2.212 -0.823 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.350 2.615 -2.122 0.00 0.00 +0.092 C ATOM 3 C LIG 1 -0.038 2.135 -2.500 0.00 0.00 +0.079 C ATOM 4 N LIG 1 -0.878 1.397 -1.517 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 -0.045 0.747 -0.479 0.00 0.00 +0.104 C ATOM 6 C LIG 1 0.215 3.593 -2.213 0.00 0.00 +0.044 C ATOM 7 C LIG 1 0.956 1.732 0.169 0.00 0.00 +0.121 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 5.437 -0.096 -0.700 0.00 0.00 +0.125 A ATOM 9 N LIG 1 5.135 0.686 0.372 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 3.997 1.416 0.270 0.00 0.00 +0.134 A ATOM 11 C LIG 1 3.124 1.410 -0.826 0.00 0.00 +0.048 A ATOM 12 C LIG 1 3.488 0.592 -1.901 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.654 -0.173 -1.843 0.00 0.00 +0.035 A BRANCH 8 15 ATOM 14 O LIG 1 7.044 -1.657 -1.502 0.00 0.00 -0.269 OA ATOM 15 C LIG 1 6.693 -0.905 -0.599 0.00 0.00 +0.263 C ATOM 16 N LIG 1 7.383 -0.719 0.583 0.00 0.00 -0.307 N ATOM 17 H LIG 1 6.968 -0.064 1.242 0.00 0.00 +0.149 HD BRANCH 16 18 ATOM 18 C LIG 1 8.610 -1.373 0.886 0.00 0.00 +0.073 C ATOM 19 C LIG 1 9.915 -0.639 0.753 0.00 0.00 +0.024 C ATOM 20 C LIG 1 9.395 -1.000 2.114 0.00 0.00 +0.024 C ENDBRANCH 16 18 ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 4 21 ATOM 21 C LIG 1 -1.786 0.440 -2.168 0.00 0.00 +0.121 C BRANCH 21 22 ATOM 22 C LIG 1 -2.878 -0.061 -1.256 0.00 0.00 -0.013 A ATOM 23 C LIG 1 -3.743 0.824 -0.600 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -4.738 0.310 0.221 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -4.848 -1.069 0.359 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -5.892 -1.609 1.220 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -6.767 -0.820 1.878 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -6.610 0.681 1.732 0.00 0.00 +0.253 A ATOM 29 O LIG 1 -7.341 1.464 2.333 0.00 0.00 -0.268 OA ATOM 30 N LIG 1 -4.038 -1.952 -0.263 0.00 0.00 -0.253 NA ATOM 31 N LIG 1 -5.619 1.148 0.907 0.00 0.00 -0.321 N ATOM 32 H LIG 1 -5.544 2.153 0.829 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -3.075 -1.427 -1.057 0.00 0.00 +0.116 A BRANCH 27 34 ATOM 34 C LIG 1 -7.824 -1.357 2.765 0.00 0.00 +0.024 C ATOM 35 C LIG 1 -9.270 -1.132 2.396 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -8.688 -2.511 2.316 0.00 0.00 +0.009 C ENDBRANCH 27 34 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 6