REMARK Name = BDB008771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.965 -0.576 -0.948 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.686 -0.844 -0.650 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.145 0.192 -0.429 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.247 1.517 -0.462 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.587 1.801 -0.733 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.448 0.727 -0.999 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.079 3.170 -0.786 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.122 4.059 0.283 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.584 5.350 0.068 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -2.486 6.003 1.318 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.012 5.183 2.265 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -2.845 7.404 1.634 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -3.020 5.798 -1.128 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -2.970 4.871 -2.091 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -1.831 4.009 1.621 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -1.403 2.870 2.401 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -2.540 3.600 -1.985 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.578 -2.962 -1.209 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.873 -1.608 -1.220 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.816 -1.334 -1.453 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.492 -3.479 -0.957 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.806 -3.828 -1.588 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.967 -3.828 -3.106 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -3.833 -5.346 0.313 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.640 -5.224 -1.128 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -2.672 -5.494 -1.338 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 1.493 -0.176 -0.141 0.00 0.00 -0.041 C ATOM 28 C LIG 1 2.623 -0.507 0.100 0.00 0.00 -0.058 C BRANCH 28 29 ATOM 29 C LIG 1 3.959 -0.930 0.376 0.00 0.00 +0.044 A ATOM 30 C LIG 1 4.445 -2.122 -0.165 0.00 0.00 +0.031 A ATOM 31 C LIG 1 5.765 -2.477 0.149 0.00 0.00 +0.040 A ATOM 32 C LIG 1 6.654 -3.534 -0.143 0.00 0.00 +0.144 A ATOM 33 N LIG 1 7.851 -3.383 0.435 0.00 0.00 -0.177 NA ATOM 34 N LIG 1 7.726 -2.213 1.107 0.00 0.00 -0.250 N ATOM 35 C LIG 1 8.838 -1.714 1.877 0.00 0.00 +0.174 C ATOM 36 C LIG 1 6.496 -1.627 0.971 0.00 0.00 +0.158 A ATOM 37 N LIG 1 6.077 -0.466 1.520 0.00 0.00 -0.235 NA ATOM 38 C LIG 1 4.796 -0.165 1.188 0.00 0.00 +0.130 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6