REMARK Name = BDB023922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.292 3.176 -4.393 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.300 3.189 -3.258 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.009 1.974 -2.649 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.946 2.012 -1.625 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.969 0.772 -0.802 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.227 0.410 0.351 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -1.554 -0.826 0.761 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.495 -1.249 -0.108 0.00 0.00 -0.262 N ATOM 9 C LIG 1 -2.754 -0.327 -1.077 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.700 -0.415 -2.214 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -3.325 0.662 -3.256 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -2.789 4.250 -2.897 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -0.219 1.198 1.055 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.137 0.776 1.139 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.070 1.596 1.809 0.00 0.00 -0.014 A ATOM 16 C LIG 1 3.414 1.198 1.886 0.00 0.00 +0.037 A ATOM 17 C LIG 1 3.812 0.003 1.297 0.00 0.00 +0.075 A ATOM 18 N LIG 1 2.947 -0.805 0.648 0.00 0.00 -0.254 NA ATOM 19 C LIG 1 1.644 2.802 2.388 0.00 0.00 +0.008 A ATOM 20 C LIG 1 0.312 3.205 2.309 0.00 0.00 +0.001 A ATOM 21 C LIG 1 1.651 -0.410 0.590 0.00 0.00 +0.120 A ATOM 22 C LIG 1 -0.616 2.408 1.646 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.185 -0.470 1.332 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.279 0.177 1.875 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.352 -0.644 1.669 0.00 0.00 -0.274 N ATOM 26 C LIG 1 8.719 -0.402 2.062 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.042 -1.786 1.034 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.725 -1.677 0.827 0.00 0.00 +0.144 A ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.099 -2.546 0.066 0.00 0.00 +0.135 C ATOM 30 C LIG 1 -3.878 -2.704 1.359 0.00 0.00 +0.186 C ATOM 31 O LIG 1 -4.008 -4.122 1.568 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 -2.992 -4.783 0.796 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -2.133 -3.712 0.155 0.00 0.00 +0.057 C ENDBRANCH 8 29 TORSDOF 3