REMARK Name = BDB026659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.010 3.014 -2.851 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -1.755 3.281 -2.288 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.172 2.321 -1.446 0.00 0.00 +0.091 A ATOM 4 N LIG 1 0.009 2.398 -0.769 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 0.140 1.255 -0.121 0.00 0.00 +0.147 A ATOM 6 N LIG 1 -0.964 0.423 -0.343 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -1.816 1.112 -1.205 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.083 0.837 -1.744 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -3.658 1.802 -2.581 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.187 -0.879 0.197 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -1.732 -1.887 -0.612 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -1.942 -3.171 -0.092 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -2.420 -4.297 -0.968 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -3.191 -5.330 -0.163 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -2.463 -5.724 1.101 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -1.781 -4.728 1.748 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -1.405 -4.974 2.655 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -2.551 -6.849 1.587 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -1.591 -3.444 1.233 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -1.033 -2.453 2.037 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -0.837 -1.168 1.523 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 1.354 0.899 0.630 0.00 0.00 +0.029 A ATOM 23 C LIG 1 1.773 1.637 1.764 0.00 0.00 +0.011 A ATOM 24 C LIG 1 2.942 1.194 2.416 0.00 0.00 +0.072 A ATOM 25 C LIG 1 3.382 1.877 3.543 0.00 0.00 +0.028 A ATOM 26 C LIG 1 2.704 2.988 4.047 0.00 0.00 +0.002 A ATOM 27 C LIG 1 1.555 3.436 3.413 0.00 0.00 +0.001 A ATOM 28 N LIG 1 3.653 0.132 2.004 0.00 0.00 -0.245 NA ATOM 29 C LIG 1 3.247 -0.541 0.909 0.00 0.00 +0.090 A ATOM 30 C LIG 1 1.092 2.768 2.282 0.00 0.00 +0.011 A ATOM 31 C LIG 1 2.117 -0.189 0.194 0.00 0.00 +0.042 A BRANCH 29 32 ATOM 32 C LIG 1 4.061 -1.695 0.541 0.00 0.00 +0.087 A ATOM 33 N LIG 1 5.390 -1.898 0.858 0.00 0.00 -0.332 N ATOM 34 C LIG 1 6.271 -1.012 1.580 0.00 0.00 +0.150 C ATOM 35 C LIG 1 5.775 -3.100 0.330 0.00 0.00 +0.199 A ATOM 36 N LIG 1 4.792 -3.688 -0.307 0.00 0.00 -0.243 NA ATOM 37 C LIG 1 3.730 -2.833 -0.180 0.00 0.00 +0.140 A ENDBRANCH 29 32 ENDBRANCH 5 22 BRANCH 1 41 ATOM 38 C LIG 1 -4.037 6.337 -4.346 0.00 0.00 +0.128 C ATOM 39 N LIG 1 -3.354 5.315 -3.592 0.00 0.00 -0.314 N ATOM 40 H LIG 1 -2.865 5.600 -2.756 0.00 0.00 +0.149 HD ATOM 41 C LIG 1 -3.686 3.985 -3.755 0.00 0.00 +0.244 C ATOM 42 O LIG 1 -4.515 3.591 -4.569 0.00 0.00 -0.270 OA ENDBRANCH 1 41 TORSDOF 4