REMARK Name = BDB004405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.139 -1.092 0.125 0.00 0.00 +0.050 A ATOM 2 C UNK A 1 -0.186 -2.476 -0.159 0.00 0.00 +0.007 A ATOM 3 C UNK A 1 -1.426 -3.023 -0.573 0.00 0.00 +0.028 A ATOM 4 C UNK A 1 -1.499 -4.419 -0.811 0.00 0.00 +0.012 A ATOM 5 C UNK A 1 -0.383 -5.247 -0.684 0.00 0.00 +0.001 A ATOM 6 C UNK A 1 0.836 -4.705 -0.309 0.00 0.00 +0.001 A ATOM 7 C UNK A 1 -2.536 -2.156 -0.714 0.00 0.00 +0.155 A ATOM 8 C UNK A 1 -2.394 -0.805 -0.392 0.00 0.00 +0.168 A ATOM 9 C UNK A 1 0.932 -3.340 -0.046 0.00 0.00 +0.010 A ATOM 10 N UNK A 1 -1.216 -0.276 0.014 0.00 0.00 -0.243 NA ENDROOT BRANCH 8 11 ATOM 11 C UNK A 1 -3.517 0.205 -0.473 0.00 0.00 +0.266 C ATOM 12 N UNK A 1 -4.771 -0.232 -0.843 0.00 0.00 -0.299 N ATOM 13 H UNK A 1 -4.889 -1.238 -0.944 0.00 0.00 +0.150 HD ATOM 14 O UNK A 1 -3.343 1.404 -0.255 0.00 0.00 -0.268 OA BRANCH 12 15 ATOM 15 C UNK A 1 -5.971 0.569 -0.640 0.00 0.00 +0.225 C BRANCH 15 16 ATOM 16 C UNK A 1 -6.180 1.740 -1.602 0.00 0.00 +0.322 C ATOM 17 O UNK A 1 -7.287 2.076 -2.007 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O UNK A 1 -5.071 2.455 -1.890 0.00 0.00 -0.480 OA ATOM 19 H UNK A 1 -4.296 2.175 -1.341 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 8 11 BRANCH 7 20 ATOM 20 O UNK A 1 -3.741 -2.633 -1.178 0.00 0.00 -0.504 OA ATOM 21 H UNK A 1 -3.556 -3.350 -1.811 0.00 0.00 +0.292 HD ENDBRANCH 7 20 BRANCH 1 22 ATOM 22 C UNK A 0 1.124 -0.384 0.564 0.00 0.00 +0.056 C BRANCH 22 23 ATOM 23 C UNK A 0 1.986 0.025 -0.634 0.00 0.00 +0.006 C BRANCH 23 24 ATOM 24 C UNK A 0 3.331 0.638 -0.232 0.00 0.00 +0.000 C BRANCH 24 25 ATOM 25 C UNK A 0 3.195 1.977 0.498 0.00 0.00 +0.000 C BRANCH 25 26 ATOM 26 C UNK A 0 4.568 2.597 0.774 0.00 0.00 -0.000 C BRANCH 26 28 ATOM 27 C UNK A 0 3.893 3.977 2.812 0.00 0.00 +0.004 C ATOM 28 C UNK A 0 4.489 3.985 1.413 0.00 0.00 -0.003 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11