REMARK Name = BDB041410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.682 1.136 0.842 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.464 2.523 1.030 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.695 3.151 0.564 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.705 4.553 0.878 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.419 4.957 1.554 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.661 2.370 -0.118 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.479 0.994 -0.342 0.00 0.00 -0.038 A ATOM 8 S LIG 1 -1.494 3.667 1.822 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.323 0.404 0.165 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.911 0.394 1.340 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -4.696 -1.793 -0.037 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.833 -0.919 0.094 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.687 0.435 0.068 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -4.547 1.178 -0.248 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -4.519 2.541 -0.189 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -5.651 3.154 0.181 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -6.831 2.523 0.493 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -3.263 0.528 -0.701 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -2.606 -0.359 0.275 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -6.842 1.135 0.431 0.00 0.00 +0.053 A ATOM 21 C LIG 1 -3.519 -1.358 0.870 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -4.290 -4.328 0.012 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.229 -3.183 0.364 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 -5.552 4.503 0.234 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -4.614 4.608 -0.009 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.577 0.216 -1.088 0.00 0.00 +0.067 C BRANCH 26 27 ATOM 27 C LIG 1 3.666 -0.263 -0.114 0.00 0.00 -0.016 A ATOM 28 C LIG 1 5.026 0.146 -0.220 0.00 0.00 -0.014 A ATOM 29 C LIG 1 5.530 1.077 -1.283 0.00 0.00 +0.046 C ATOM 30 C LIG 1 5.907 -0.366 0.755 0.00 0.00 +0.135 A ATOM 31 N LIG 1 7.254 -0.185 0.957 0.00 0.00 -0.128 NA ATOM 32 N LIG 1 7.613 -0.890 2.026 0.00 0.00 -0.063 NA ATOM 33 N LIG 1 6.507 -1.509 2.488 0.00 0.00 -0.230 N ATOM 34 C LIG 1 6.582 -2.356 3.645 0.00 0.00 +0.176 C ATOM 35 C LIG 1 5.410 -1.208 1.736 0.00 0.00 +0.179 A ATOM 36 N LIG 1 4.142 -1.621 1.904 0.00 0.00 -0.234 NA ATOM 37 C LIG 1 3.317 -1.113 0.955 0.00 0.00 +0.117 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 2.125 -0.830 -2.189 0.00 0.00 +0.073 C ATOM 39 C LIG 1 0.857 -0.383 -2.956 0.00 0.00 +0.023 C ATOM 40 C LIG 1 1.847 -2.258 -1.666 0.00 0.00 +0.023 C BRANCH 38 41 ATOM 41 C LIG 1 3.282 -0.955 -3.198 0.00 0.00 +0.311 C ATOM 42 O LIG 1 4.083 -1.878 -3.215 0.00 0.00 -0.250 OA BRANCH 41 43 ATOM 43 O LIG 1 3.399 0.070 -4.074 0.00 0.00 -0.480 OA ATOM 44 H LIG 1 2.739 0.783 -4.010 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9