REMARK Name = BDB004086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.817 0.979 3.748 0.00 0.00 +0.217 A ATOM 2 N LIG 1 0.789 1.144 2.909 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 -0.449 0.874 3.361 0.00 0.00 +0.126 A ATOM 4 C LIG 1 -0.666 0.450 4.655 0.00 0.00 +0.063 A ATOM 5 C LIG 1 0.449 0.302 5.441 0.00 0.00 +0.118 A ATOM 6 N LIG 1 1.695 0.549 5.010 0.00 0.00 -0.223 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.537 1.060 2.484 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -2.739 0.282 2.427 0.00 0.00 +0.124 C ATOM 9 C LIG 1 -2.939 0.861 1.010 0.00 0.00 +0.087 C ATOM 10 C LIG 1 -3.493 -0.084 -0.083 0.00 0.00 +0.232 C ATOM 11 O LIG 1 -3.074 -1.196 -0.385 0.00 0.00 -0.274 OA ATOM 12 N LIG 1 -4.550 0.545 -0.687 0.00 0.00 -0.230 N ATOM 13 C LIG 1 -4.755 1.825 -0.229 0.00 0.00 +0.224 C ATOM 14 O LIG 1 -5.587 2.617 -0.647 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -3.801 2.115 0.905 0.00 0.00 +0.115 C ATOM 16 C LIG 1 -1.416 1.097 1.052 0.00 0.00 +0.124 C BRANCH 12 17 ATOM 17 C LIG 1 -5.239 0.036 -1.867 0.00 0.00 +0.170 C ATOM 18 C LIG 1 -4.309 0.151 -3.079 0.00 0.00 +0.240 C ATOM 19 O LIG 1 -3.356 0.927 -3.136 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -4.639 -0.635 -4.160 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -4.033 -0.555 -4.966 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 -5.591 -1.621 -4.224 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -5.729 -2.304 -5.234 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -6.491 -1.774 -3.018 0.00 0.00 +0.098 C ATOM 25 C LIG 1 -5.766 -1.390 -1.736 0.00 0.00 +0.041 C ENDBRANCH 12 17 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 N LIG 1 3.068 1.270 3.227 0.00 0.00 -0.311 N ATOM 27 H LIG 1 2.961 1.289 2.215 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 4.135 0.396 3.693 0.00 0.00 +0.132 C BRANCH 28 29 ATOM 29 C LIG 1 5.361 0.557 2.781 0.00 0.00 +0.179 C BRANCH 29 30 ATOM 30 O LIG 1 5.048 0.256 1.415 0.00 0.00 -0.367 OA BRANCH 30 31 ATOM 31 C LIG 1 5.091 -1.135 1.117 0.00 0.00 +0.280 C BRANCH 31 32 ATOM 32 C LIG 1 4.665 -1.501 -0.304 0.00 0.00 +0.334 C ATOM 33 O LIG 1 4.399 -2.649 -0.640 0.00 0.00 -0.248 OA BRANCH 32 34 ATOM 34 O LIG 1 4.656 -0.414 -1.119 0.00 0.00 -0.457 OA BRANCH 34 36 ATOM 35 C LIG 1 2.821 -0.989 -2.658 0.00 0.00 +0.055 C ATOM 36 C LIG 1 4.275 -0.523 -2.514 0.00 0.00 +0.105 C ATOM 37 C LIG 1 4.389 0.907 -3.064 0.00 0.00 +0.055 C ATOM 38 C LIG 1 5.245 -1.424 -3.287 0.00 0.00 +0.055 C ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10