REMARK Name = BDB022655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.835 2.745 -1.465 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -4.336 1.521 -1.064 0.00 0.00 +0.166 A ATOM 3 N LIG 1 -3.077 1.763 -0.584 0.00 0.00 -0.183 N ATOM 4 C LIG 1 -2.290 0.710 -0.085 0.00 0.00 +0.221 A ATOM 5 N LIG 1 -2.797 -0.494 -0.097 0.00 0.00 -0.181 NA ATOM 6 C LIG 1 -4.065 -0.691 -0.602 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.715 3.066 -0.632 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -4.833 0.260 -1.069 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -3.786 3.654 -1.173 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -7.006 3.965 -1.184 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -6.177 3.031 -2.069 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -6.050 3.603 -3.482 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -4.579 -1.954 -0.618 0.00 0.00 -0.310 N ATOM 14 H LIG 1 -5.572 -1.954 -0.824 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.097 -3.037 0.220 0.00 0.00 +0.077 C ATOM 16 C LIG 1 -4.592 -2.865 1.657 0.00 0.00 +0.050 C ATOM 17 C LIG 1 -4.213 -4.082 2.486 0.00 0.00 +0.161 C ATOM 18 O LIG 1 -4.728 -5.275 1.895 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -4.198 -5.506 0.591 0.00 0.00 +0.161 C ATOM 20 C LIG 1 -4.578 -4.372 -0.349 0.00 0.00 +0.050 C ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 21 ATOM 21 N LIG 1 -1.017 0.881 0.417 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -0.668 0.053 0.887 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.452 2.129 0.878 0.00 0.00 +0.139 C BRANCH 23 24 ATOM 24 C LIG 1 0.871 1.849 1.554 0.00 0.00 -0.029 A ATOM 25 C LIG 1 2.019 1.592 0.785 0.00 0.00 +0.028 A ATOM 26 C LIG 1 3.250 1.303 1.391 0.00 0.00 +0.034 A ATOM 27 C LIG 1 3.321 1.269 2.783 0.00 0.00 +0.023 A ATOM 28 C LIG 1 2.184 1.514 3.559 0.00 0.00 +0.002 A ATOM 29 C LIG 1 0.964 1.799 2.950 0.00 0.00 +0.005 A BRANCH 26 30 ATOM 30 N LIG 1 4.346 1.060 0.535 0.00 0.00 -0.282 N ATOM 31 H LIG 1 4.144 1.121 -0.454 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 5.641 0.753 0.901 0.00 0.00 +0.241 C ATOM 33 O LIG 1 6.082 0.630 2.036 0.00 0.00 -0.271 OA BRANCH 32 34 ATOM 34 C LIG 1 6.522 0.568 -0.289 0.00 0.00 +0.064 C ATOM 35 C LIG 1 7.818 0.252 -0.134 0.00 0.00 -0.007 C BRANCH 35 36 ATOM 36 C LIG 1 8.779 0.059 -1.271 0.00 0.00 +0.111 C BRANCH 36 37 ATOM 37 N LIG 1 9.369 -1.276 -1.392 0.00 0.00 -0.305 NA ATOM 38 C LIG 1 8.375 -2.317 -1.634 0.00 0.00 +0.104 C ATOM 39 C LIG 1 10.238 -1.623 -0.270 0.00 0.00 +0.104 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 34 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 10