REMARK Name = BDB007648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.151 -0.499 1.101 0.00 0.00 -0.033 A ATOM 2 C LIG 1 0.340 -0.217 -0.010 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.632 -1.135 -0.432 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -0.779 -2.351 0.247 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.020 -2.638 1.353 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.975 -1.714 1.780 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.510 -0.872 -1.607 0.00 0.00 +0.244 C ATOM 8 N LIG 1 -1.746 0.451 -1.913 0.00 0.00 -0.309 N ATOM 9 H LIG 1 -1.555 1.159 -1.215 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -2.021 -1.802 -2.223 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -2.688 0.841 -2.949 0.00 0.00 +0.137 C BRANCH 11 12 ATOM 12 C LIG 1 -4.089 1.151 -2.404 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 O LIG 1 -3.991 2.174 -1.396 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 -4.829 2.092 -0.893 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 -4.808 -0.078 -1.805 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 -6.108 0.309 -1.198 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -6.551 -0.762 -0.276 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -7.940 -0.544 0.286 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -8.858 0.297 -0.365 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -10.149 0.458 0.156 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -10.535 -0.233 1.304 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -9.635 -1.083 1.941 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -8.431 1.072 -1.585 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -8.345 -1.242 1.434 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -7.150 0.514 -2.221 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 2.197 0.494 1.566 0.00 0.00 +0.119 C BRANCH 26 30 ATOM 27 N LIG 1 6.325 -0.621 1.241 0.00 0.00 -0.292 NA ATOM 28 C LIG 1 5.918 0.230 2.369 0.00 0.00 +0.100 C ATOM 29 C LIG 1 4.502 0.851 2.238 0.00 0.00 +0.100 C ATOM 30 N LIG 1 3.555 -0.059 1.580 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 4.038 -0.408 0.226 0.00 0.00 +0.100 C ATOM 32 C LIG 1 5.576 -0.318 0.020 0.00 0.00 +0.100 C BRANCH 27 33 ATOM 33 C LIG 1 7.782 -0.709 1.057 0.00 0.00 +0.180 C BRANCH 33 36 ATOM 34 C LIG 1 10.535 1.649 -0.221 0.00 0.00 +0.131 C ATOM 35 N LIG 1 9.859 0.491 0.342 0.00 0.00 -0.307 N ATOM 36 C LIG 1 8.487 0.590 0.604 0.00 0.00 +0.229 C ATOM 37 O LIG 1 7.893 1.665 0.486 0.00 0.00 -0.274 OA ATOM 38 C LIG 1 10.582 -0.769 0.264 0.00 0.00 +0.131 C ENDBRANCH 33 36 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 10