REMARK Name = BDB032833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.241 -1.290 -0.146 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.434 -0.250 0.279 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.589 0.943 0.111 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.329 -0.850 1.035 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.546 -2.224 1.101 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -2.644 -3.041 1.757 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.522 -2.445 2.347 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -1.313 -1.046 2.291 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -2.235 -0.234 1.613 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -4.818 -2.570 0.405 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.210 2.628 -1.376 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.684 1.527 -1.231 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -8.049 0.714 -0.191 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -8.710 1.114 0.460 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -7.550 -0.518 0.146 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -7.886 -1.065 1.198 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.534 -1.145 -0.807 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.502 -0.486 -2.184 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -6.607 1.028 -2.160 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 -0.086 -0.435 2.922 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.908 -0.315 1.902 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 2.100 0.163 2.357 0.00 0.00 +0.406 C ATOM 23 N LIG 1 2.943 0.238 1.291 0.00 0.00 -0.236 N ATOM 24 H LIG 1 2.538 -0.049 0.415 0.00 0.00 +0.160 HD ATOM 25 O LIG 1 2.304 0.450 3.525 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 4.268 0.672 1.313 0.00 0.00 +0.128 A ATOM 27 N LIG 1 4.840 1.064 2.461 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 6.122 1.479 2.418 0.00 0.00 +0.113 A ATOM 29 C LIG 1 6.878 1.521 1.261 0.00 0.00 +0.028 A ATOM 30 C LIG 1 6.292 1.109 0.063 0.00 0.00 -0.013 A ATOM 31 C LIG 1 4.958 0.678 0.103 0.00 0.00 +0.052 A BRANCH 30 32 ATOM 32 C LIG 1 7.046 1.129 -1.199 0.00 0.00 -0.018 A ATOM 33 C LIG 1 7.186 -0.034 -1.976 0.00 0.00 +0.008 A ATOM 34 C LIG 1 7.902 -0.016 -3.176 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.488 1.167 -3.620 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.361 2.330 -2.865 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.646 2.310 -1.664 0.00 0.00 +0.008 A ENDBRANCH 30 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6