REMARK Name = BDB062469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.003 -1.413 0.970 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.161 -2.326 1.016 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.386 -1.752 1.765 0.00 0.00 +0.122 C ATOM 4 N LIG 1 1.834 -0.480 1.172 0.00 0.00 -0.313 N ATOM 5 C LIG 1 0.876 0.181 0.272 0.00 0.00 +0.122 C ATOM 6 C LIG 1 -0.567 -0.005 0.795 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.176 -0.343 0.832 0.00 0.00 +0.122 A ATOM 8 N LIG 1 3.496 0.249 -0.336 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 4.806 0.393 -0.656 0.00 0.00 +0.122 A ATOM 10 C LIG 1 5.881 0.003 0.152 0.00 0.00 +0.012 A ATOM 11 C LIG 1 5.537 -0.616 1.367 0.00 0.00 -0.012 A ATOM 12 C LIG 1 6.552 -1.073 2.227 0.00 0.00 +0.009 A ATOM 13 C LIG 1 7.899 -0.936 1.888 0.00 0.00 +0.001 A ATOM 14 C LIG 1 8.252 -0.321 0.692 0.00 0.00 +0.014 A ATOM 15 C LIG 1 7.255 0.166 -0.162 0.00 0.00 +0.046 A ATOM 16 C LIG 1 4.181 -0.771 1.698 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 7.714 0.859 -1.388 0.00 0.00 +0.244 C ATOM 18 N LIG 1 7.243 2.144 -1.549 0.00 0.00 -0.314 N ATOM 19 H LIG 1 6.774 2.591 -0.771 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 7.726 2.977 -2.621 0.00 0.00 +0.128 C ATOM 21 O LIG 1 8.502 0.307 -2.145 0.00 0.00 -0.270 OA ENDBRANCH 15 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 -1.950 -1.849 -0.065 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 -7.779 1.041 -0.437 0.00 0.00 +0.019 A ATOM 24 C LIG 1 -7.111 1.153 -1.776 0.00 0.00 +0.252 A ATOM 25 O LIG 1 -7.649 1.715 -2.725 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 -5.864 0.597 -1.901 0.00 0.00 -0.321 N ATOM 27 H LIG 1 -5.432 0.680 -2.811 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 -5.201 -0.042 -0.847 0.00 0.00 +0.068 A ATOM 29 C LIG 1 -5.811 -0.137 0.402 0.00 0.00 +0.088 A ATOM 30 N LIG 1 -5.246 -0.735 1.469 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 -4.010 -1.257 1.277 0.00 0.00 +0.116 A ATOM 32 C LIG 1 -3.311 -1.211 0.069 0.00 0.00 -0.013 A ATOM 33 C LIG 1 -3.935 -0.590 -1.019 0.00 0.00 +0.034 A ATOM 34 C LIG 1 -7.140 0.438 0.581 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 -10.237 0.789 -0.895 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -9.142 1.659 -0.293 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 5