REMARK Name = BDB048040 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 0.037 2.083 0.154 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N UNK A 1 -1.984 0.697 0.221 0.00 0.00 -0.302 N ATOM 3 H UNK A 1 -1.605 0.423 1.128 0.00 0.00 +0.150 HD ATOM 4 C UNK A 1 -1.261 1.586 -0.538 0.00 0.00 +0.234 C ATOM 5 O UNK A 1 -1.636 1.957 -1.647 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C UNK A 1 -3.229 0.070 -0.218 0.00 0.00 +0.159 C BRANCH 6 9 ATOM 7 N UNK A 1 -4.896 1.633 0.812 0.00 0.00 -0.299 N ATOM 8 H UNK A 1 -5.470 1.843 1.624 0.00 0.00 +0.150 HD ATOM 9 C UNK A 1 -4.265 0.426 0.867 0.00 0.00 +0.234 C ATOM 10 O UNK A 1 -4.487 -0.296 1.839 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C UNK A 1 -4.845 2.660 -0.239 0.00 0.00 +0.207 C BRANCH 11 12 ATOM 12 C UNK A 1 -5.159 4.027 0.372 0.00 0.00 +0.330 C ATOM 13 O UNK A 1 -5.463 4.213 1.545 0.00 0.00 -0.249 OA BRANCH 12 15 ATOM 14 C UNK A 1 -5.181 6.338 -0.057 0.00 0.00 +0.280 C ATOM 15 O UNK A 1 -4.989 5.011 -0.558 0.00 0.00 -0.467 OA ENDBRANCH 12 15 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 C UNK A 1 -5.812 2.339 -1.379 0.00 0.00 +0.189 C BRANCH 16 17 ATOM 17 O UNK A 1 -7.129 2.070 -0.900 0.00 0.00 -0.393 OA ATOM 18 H UNK A 1 -7.060 1.353 -0.243 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 7 11 ENDBRANCH 6 9 BRANCH 6 19 ATOM 19 C UNK A 1 -2.988 -1.438 -0.376 0.00 0.00 +0.032 C BRANCH 19 20 ATOM 20 C UNK A 1 -4.052 -2.172 -1.206 0.00 0.00 +0.004 C BRANCH 20 21 ATOM 21 C UNK A 1 -5.410 -2.290 -0.515 0.00 0.00 +0.015 C BRANCH 21 22 ATOM 22 C UNK A 1 -6.392 -3.165 -1.319 0.00 0.00 +0.085 C BRANCH 22 23 ATOM 23 N UNK A 1 -7.768 -3.299 -0.771 0.00 0.00 -0.296 NA BRANCH 23 24 ATOM 24 C UNK A 1 -8.392 -1.967 -0.623 0.00 0.00 +0.057 C ATOM 25 C UNK A 1 -9.942 -2.066 -0.655 0.00 0.00 +0.019 C ATOM 26 C UNK A 1 -9.921 -0.793 -1.526 0.00 0.00 +0.003 C ATOM 27 C UNK A 1 -8.527 -1.252 -2.000 0.00 0.00 +0.019 C ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 C UNK A 1 -7.707 -3.989 0.536 0.00 0.00 +0.057 C ATOM 29 C UNK A 1 -7.269 -5.468 0.354 0.00 0.00 +0.019 C ATOM 30 C UNK A 1 -8.337 -5.825 1.409 0.00 0.00 +0.003 C ATOM 31 C UNK A 1 -9.092 -4.568 0.933 0.00 0.00 +0.019 C ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 6 19 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 32 ATOM 32 N UNK A 1 0.965 0.951 0.217 0.00 0.00 -0.302 N ATOM 33 H UNK A 1 1.530 0.737 -0.608 0.00 0.00 +0.150 HD ATOM 34 C UNK A 1 0.885 -0.033 1.186 0.00 0.00 +0.234 C ATOM 35 O UNK A 1 0.019 -0.016 2.059 0.00 0.00 -0.274 OA BRANCH 34 36 ATOM 36 C UNK A 1 1.903 -1.179 1.003 0.00 0.00 +0.156 C ATOM 37 C UNK A 1 1.717 -2.273 2.045 0.00 0.00 +0.038 C BRANCH 36 38 ATOM 38 N UNK A 1 3.261 -0.650 1.046 0.00 0.00 -0.303 N ATOM 39 H UNK A 1 3.759 -0.627 1.935 0.00 0.00 +0.149 HD ATOM 40 C UNK A 1 3.897 -0.118 -0.052 0.00 0.00 +0.234 C ATOM 41 O UNK A 1 3.347 -0.043 -1.155 0.00 0.00 -0.274 OA BRANCH 40 42 ATOM 42 C UNK A 1 5.333 0.389 0.227 0.00 0.00 +0.163 C BRANCH 42 43 ATOM 43 N UNK A 1 6.167 -0.728 0.674 0.00 0.00 -0.302 N ATOM 44 H UNK A 1 6.654 -1.287 -0.028 0.00 0.00 +0.150 HD ATOM 45 C UNK A 0 6.195 -1.184 1.968 0.00 0.00 +0.231 C ATOM 46 O UNK A 0 5.427 -0.752 2.828 0.00 0.00 -0.274 OA BRANCH 45 47 ATOM 47 C UNK A 0 7.134 -2.369 2.224 0.00 0.00 +0.200 C BRANCH 47 48 ATOM 48 N UNK A 0 8.496 -2.126 1.777 0.00 0.00 -0.303 N ATOM 49 H UNK A 0 9.202 -2.006 2.491 0.00 0.00 +0.150 HD ATOM 50 C UNK A 0 8.866 -2.265 0.459 0.00 0.00 +0.244 C ATOM 51 O UNK A 0 8.057 -2.523 -0.426 0.00 0.00 -0.270 OA BRANCH 50 52 ATOM 52 C UNK A 0 10.310 -2.086 0.144 0.00 0.00 +0.037 A ATOM 53 C UNK A 0 11.143 -1.261 0.914 0.00 0.00 +0.013 A ATOM 54 C UNK A 0 12.487 -1.108 0.566 0.00 0.00 +0.001 A ATOM 55 C UNK A 0 13.002 -1.771 -0.549 0.00 0.00 +0.000 A ATOM 56 C UNK A 0 12.172 -2.581 -1.324 0.00 0.00 +0.001 A ATOM 57 C UNK A 0 10.828 -2.736 -0.983 0.00 0.00 +0.013 A ENDBRANCH 50 52 ENDBRANCH 47 48 ENDBRANCH 45 47 ENDBRANCH 42 43 BRANCH 42 58 ATOM 58 C UNK A 1 5.909 1.063 -1.030 0.00 0.00 +0.067 C BRANCH 58 59 ATOM 59 C UNK A 1 7.298 1.623 -0.825 0.00 0.00 -0.045 A ATOM 60 C UNK A 1 8.411 0.981 -1.383 0.00 0.00 +0.004 A ATOM 61 C UNK A 1 9.698 1.476 -1.170 0.00 0.00 +0.000 A ATOM 62 C UNK A 1 9.888 2.618 -0.393 0.00 0.00 +0.000 A ATOM 63 C UNK A 1 8.787 3.270 0.159 0.00 0.00 +0.000 A ATOM 64 C UNK A 1 7.496 2.777 -0.055 0.00 0.00 +0.004 A ENDBRANCH 58 59 ENDBRANCH 42 58 ENDBRANCH 40 42 ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 1 32 BRANCH 1 65 ATOM 65 C UNK A 1 0.705 3.252 -0.591 0.00 0.00 +0.034 C BRANCH 65 66 ATOM 66 C UNK A 1 0.231 4.668 -0.202 0.00 0.00 -0.015 C ATOM 67 C UNK A 1 0.643 5.037 1.224 0.00 0.00 +0.007 C ATOM 68 C UNK A 1 -1.267 4.883 -0.395 0.00 0.00 +0.007 C ENDBRANCH 65 66 ENDBRANCH 1 65 TORSDOF 27