REMARK Name = BDB023974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.217 0.418 0.889 0.00 0.00 +0.093 A ATOM 2 N LIG 1 1.881 0.417 0.573 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 1.295 1.237 1.427 0.00 0.00 +0.148 A ATOM 4 N LIG 1 2.237 1.790 2.290 0.00 0.00 -0.305 N ATOM 5 C LIG 1 1.935 2.712 3.285 0.00 0.00 +0.093 A ATOM 6 C LIG 1 0.665 3.112 3.436 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -0.349 2.558 2.555 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -0.082 1.642 1.587 0.00 0.00 +0.045 A ATOM 9 C LIG 1 3.457 1.261 1.953 0.00 0.00 +0.121 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.161 1.137 0.762 0.00 0.00 +0.101 A ATOM 11 C LIG 1 -1.365 -0.214 0.369 0.00 0.00 +0.019 A ATOM 12 C LIG 1 -0.591 -1.458 0.659 0.00 0.00 +0.146 C ATOM 13 N LIG 1 -1.422 -2.634 0.325 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -2.156 -2.567 -0.956 0.00 0.00 +0.114 C ATOM 15 C LIG 1 -3.156 -1.391 -0.996 0.00 0.00 +0.074 C ATOM 16 C LIG 1 -1.224 -3.790 1.062 0.00 0.00 +0.213 C ATOM 17 O LIG 1 -0.462 -3.849 2.028 0.00 0.00 -0.276 OA ATOM 18 C LIG 1 -2.006 -5.012 0.653 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -2.521 -0.196 -0.385 0.00 0.00 +0.046 A ATOM 20 N LIG 1 -2.959 1.092 -0.400 0.00 0.00 -0.264 N ATOM 21 N LIG 1 -2.159 1.919 0.303 0.00 0.00 -0.170 NA BRANCH 20 22 ATOM 22 C LIG 1 -4.143 1.626 -1.058 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -5.021 2.448 -0.113 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -6.277 2.924 -0.835 0.00 0.00 +0.162 C ATOM 25 O LIG 1 -6.111 3.008 -2.252 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -4.823 3.491 -2.621 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -3.771 2.436 -2.308 0.00 0.00 +0.055 C ENDBRANCH 20 22 ENDBRANCH 8 10 BRANCH 1 32 ATOM 28 C LIG 1 6.164 -1.858 -1.221 0.00 0.00 +0.123 A ATOM 29 C LIG 1 4.855 -2.323 -1.109 0.00 0.00 +0.084 A ATOM 30 C LIG 1 3.896 -1.579 -0.420 0.00 0.00 +0.136 A ATOM 31 F LIG 1 2.659 -2.091 -0.333 0.00 0.00 -0.205 F ATOM 32 C LIG 1 4.218 -0.357 0.177 0.00 0.00 +0.037 A ATOM 33 C LIG 1 5.538 0.105 0.059 0.00 0.00 +0.016 A ATOM 34 C LIG 1 6.504 -0.639 -0.635 0.00 0.00 +0.046 A BRANCH 28 36 ATOM 35 C LIG 1 8.354 -2.248 -2.063 0.00 0.00 +0.277 C ATOM 36 O LIG 1 7.006 -2.677 -1.921 0.00 0.00 -0.495 OA ENDBRANCH 28 36 ENDBRANCH 1 32 TORSDOF 4