REMARK Name = BDB007735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.297 -1.511 0.071 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -0.898 -0.891 0.367 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.891 -0.023 0.890 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.378 -2.696 -0.231 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.917 -0.567 0.467 0.00 0.00 +0.122 A ATOM 6 N LIG 1 3.877 0.778 0.341 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 2.686 1.383 0.137 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.487 0.709 0.046 0.00 0.00 +0.033 A ATOM 9 C LIG 1 1.523 -0.675 0.171 0.00 0.00 +0.041 A ATOM 10 C LIG 1 2.749 -1.318 0.365 0.00 0.00 +0.056 A BRANCH 5 12 ATOM 11 C LIG 1 5.180 -2.008 1.892 0.00 0.00 +0.130 C ATOM 12 N LIG 1 5.156 -1.218 0.656 0.00 0.00 -0.317 N BRANCH 12 13 ATOM 13 C LIG 1 6.330 -0.327 0.502 0.00 0.00 +0.123 C BRANCH 13 14 ATOM 14 C LIG 1 6.596 0.019 -0.978 0.00 0.00 +0.127 C BRANCH 14 15 ATOM 15 N LIG 1 7.534 1.166 -1.195 0.00 0.00 -0.183 NA ATOM 16 C LIG 1 6.922 2.469 -0.848 0.00 0.00 +0.131 C BRANCH 15 17 ATOM 17 S LIG 1 9.151 1.004 -0.716 0.00 0.00 +0.029 S ATOM 18 O LIG 1 9.176 0.562 0.661 0.00 0.00 -0.158 OA ATOM 19 O LIG 1 9.849 2.208 -1.116 0.00 0.00 -0.158 OA ATOM 20 C LIG 1 9.729 -0.321 -1.755 0.00 0.00 +0.215 C ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 9 BRANCH 2 21 ATOM 21 C LIG 1 -2.131 -1.657 0.445 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 -3.348 -0.724 0.531 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 -3.166 0.133 1.673 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -3.337 -0.402 2.469 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -4.654 -1.550 0.638 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -5.942 -0.847 0.521 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -6.192 -0.349 -0.842 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -7.507 0.391 -0.981 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -8.158 0.923 0.146 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -9.358 1.630 -0.011 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -9.895 1.830 -1.282 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -9.243 1.321 -2.403 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.598 0.676 1.524 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -8.054 0.607 -2.255 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.127 0.237 1.492 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 11