REMARK Name = BDB046547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 0.134 -1.929 -1.630 0.00 0.00 +0.106 C ENDROOT BRANCH 1 2 ATOM 2 N UNK A 1 0.431 -1.376 -0.310 0.00 0.00 -0.310 N ATOM 3 H UNK A 1 -0.361 -1.147 0.298 0.00 0.00 +0.149 HD ATOM 4 C UNK A 1 1.679 -0.929 0.048 0.00 0.00 +0.216 C ATOM 5 O UNK A 1 2.649 -0.975 -0.703 0.00 0.00 -0.276 OA BRANCH 4 6 ATOM 6 C UNK A 1 1.733 -0.341 1.442 0.00 0.00 +0.129 C BRANCH 6 7 ATOM 7 C UNK A 1 3.161 -0.209 1.966 0.00 0.00 +0.190 C BRANCH 7 8 ATOM 8 N UNK A 1 3.931 0.762 1.184 0.00 0.00 -0.302 N ATOM 9 H UNK A 1 4.080 0.499 0.212 0.00 0.00 +0.150 HD ATOM 10 C UNK A 0 4.912 1.524 1.782 0.00 0.00 +0.214 C ATOM 11 O UNK A 0 5.035 1.623 2.998 0.00 0.00 -0.276 OA BRANCH 10 12 ATOM 12 C UNK A 0 5.778 2.262 0.775 0.00 0.00 +0.098 C BRANCH 12 13 ATOM 13 C UNK A 0 6.988 2.967 1.406 0.00 0.00 -0.008 C ATOM 14 C UNK A 0 8.058 1.960 1.837 0.00 0.00 +0.008 C ATOM 15 C UNK A 0 7.590 3.965 0.415 0.00 0.00 +0.008 C ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 7 8 BRANCH 7 16 ATOM 16 C UNK A 1 3.899 -1.555 1.969 0.00 0.00 +0.326 C ATOM 17 O UNK A 1 5.043 -1.770 1.595 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O UNK A 1 3.172 -2.565 2.495 0.00 0.00 -0.479 OA ATOM 19 H UNK A 1 3.793 -3.324 2.460 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C UNK A 1 -1.386 -1.852 -1.948 0.00 0.00 +0.136 C BRANCH 20 21 ATOM 21 O UNK A 1 -2.191 -2.187 -0.818 0.00 0.00 -0.390 OA ATOM 22 H UNK A 1 -1.871 -3.029 -0.446 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C UNK A 1 -1.856 -0.479 -2.477 0.00 0.00 +0.046 C BRANCH 23 24 ATOM 24 C UNK A 1 -1.566 0.754 -1.595 0.00 0.00 +0.081 C BRANCH 24 25 ATOM 25 C UNK A 1 -2.197 0.624 -0.207 0.00 0.00 +0.216 C ATOM 26 N UNK A 1 -3.563 0.765 -0.144 0.00 0.00 -0.315 N ATOM 27 H UNK A 1 -4.031 1.273 -0.886 0.00 0.00 +0.149 HD ATOM 28 O UNK A 1 -1.496 0.378 0.775 0.00 0.00 -0.276 OA BRANCH 26 29 ATOM 29 C UNK A 1 -4.255 0.721 1.129 0.00 0.00 +0.107 C BRANCH 29 30 ATOM 30 C UNK A 1 -5.754 0.447 0.957 0.00 0.00 -0.000 C ATOM 31 C UNK A 1 -6.475 0.611 2.295 0.00 0.00 +0.009 C ATOM 32 C UNK A 1 -6.004 -0.954 0.394 0.00 0.00 +0.009 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C UNK A 1 -2.011 2.033 -2.326 0.00 0.00 +0.054 C BRANCH 33 34 ATOM 34 C UNK A 1 -1.777 3.308 -1.513 0.00 0.00 +0.233 C BRANCH 34 35 ATOM 35 O UNK A 1 -2.409 4.428 -2.153 0.00 0.00 -0.465 OA BRANCH 35 37 ATOM 36 C UNK A 1 -4.288 5.757 -2.610 0.00 0.00 +0.136 C ATOM 37 C UNK A 1 -3.754 4.522 -1.952 0.00 0.00 +0.304 C ATOM 38 O UNK A 1 -4.437 3.710 -1.342 0.00 0.00 -0.251 OA ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 1 39 ATOM 39 C UNK A 1 0.716 -3.358 -1.802 0.00 0.00 +0.060 C BRANCH 39 40 ATOM 40 C UNK A 1 0.099 -4.440 -0.946 0.00 0.00 -0.046 A ATOM 41 C UNK A 1 -0.813 -5.351 -1.499 0.00 0.00 +0.004 A ATOM 42 C UNK A 1 -1.406 -6.331 -0.702 0.00 0.00 +0.000 A ATOM 43 C UNK A 1 -1.092 -6.415 0.653 0.00 0.00 +0.000 A ATOM 44 C UNK A 1 -0.179 -5.522 1.211 0.00 0.00 +0.000 A ATOM 45 C UNK A 1 0.416 -4.543 0.415 0.00 0.00 +0.004 A ENDBRANCH 39 40 ENDBRANCH 1 39 TORSDOF 21