REMARK Name = BDB042160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.832 1.192 1.228 0.00 0.00 +0.120 C ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 4.657 -1.224 0.950 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.209 -2.253 1.770 0.00 0.00 +0.248 C ATOM 4 O LIG 1 4.826 -3.226 2.157 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 2.816 -1.952 2.114 0.00 0.00 +0.042 A ATOM 6 C LIG 1 2.494 -0.701 1.584 0.00 0.00 -0.014 A ATOM 7 C LIG 1 1.223 -0.167 1.761 0.00 0.00 -0.028 A ATOM 8 C LIG 1 0.295 -0.944 2.486 0.00 0.00 +0.005 A ATOM 9 C LIG 1 0.638 -2.203 3.014 0.00 0.00 +0.001 A ATOM 10 C LIG 1 1.919 -2.721 2.832 0.00 0.00 +0.013 A ATOM 11 C LIG 1 3.691 -0.131 0.896 0.00 0.00 +0.145 C BRANCH 2 18 ATOM 12 O LIG 1 5.973 -0.893 -3.556 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 6.132 -0.998 -2.343 0.00 0.00 +0.219 C ATOM 14 N LIG 1 6.434 0.103 -1.582 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.514 0.973 -2.092 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.332 0.222 -0.216 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.312 1.339 0.301 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.067 -1.070 0.575 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.600 -2.257 -0.237 0.00 0.00 +0.041 C ATOM 20 C LIG 1 5.938 -2.301 -1.608 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 N LIG 1 -0.334 1.141 0.345 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -0.077 0.496 -0.946 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -1.369 0.343 -1.801 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -2.469 1.316 -1.545 0.00 0.00 -0.287 NA ATOM 25 C LIG 1 -1.843 2.583 -1.098 0.00 0.00 +0.101 C ATOM 26 C LIG 1 -0.922 2.479 0.148 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -3.433 0.773 -0.513 0.00 0.00 +0.155 C BRANCH 27 28 ATOM 28 C LIG 1 -4.174 -0.502 -0.982 0.00 0.00 +0.064 A ATOM 29 N LIG 1 -4.357 -1.494 -0.068 0.00 0.00 -0.258 NA ATOM 30 C LIG 1 -5.001 -2.611 -0.469 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -5.478 -2.808 -1.752 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -5.284 -1.798 -2.684 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.627 -0.633 -2.300 0.00 0.00 +0.025 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.457 1.818 -0.018 0.00 0.00 +0.064 A ATOM 35 N LIG 1 -4.379 2.195 1.290 0.00 0.00 -0.258 NA ATOM 36 C LIG 1 -5.261 3.116 1.736 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -6.216 3.717 0.938 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -6.274 3.353 -0.400 0.00 0.00 +0.003 A ATOM 39 C LIG 1 -5.386 2.397 -0.887 0.00 0.00 +0.025 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6