REMARK Name = BDB062527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.745 -3.114 -0.701 0.00 0.00 +0.250 C ATOM 2 N LIG 1 0.103 -1.967 -0.286 0.00 0.00 -0.279 N ATOM 3 H LIG 1 0.654 -1.288 0.231 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.208 -4.084 -1.226 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 4.248 -3.960 0.177 0.00 0.00 +0.090 A ATOM 6 N LIG 1 4.323 -2.575 0.079 0.00 0.00 -0.312 N ATOM 7 C LIG 1 3.085 -2.086 -0.353 0.00 0.00 +0.062 A ATOM 8 C LIG 1 2.998 -0.683 -0.639 0.00 0.00 +0.073 A ATOM 9 C LIG 1 4.028 0.138 -0.349 0.00 0.00 +0.137 A ATOM 10 C LIG 1 5.275 -0.396 0.167 0.00 0.00 +0.064 A ATOM 11 C LIG 1 2.180 -3.136 -0.397 0.00 0.00 +0.063 A ATOM 12 C LIG 1 5.399 -1.720 0.349 0.00 0.00 +0.095 A ATOM 13 C LIG 1 2.936 -4.309 -0.113 0.00 0.00 +0.044 A BRANCH 5 15 ATOM 14 C LIG 1 5.043 -6.325 0.610 0.00 0.00 +0.093 C ATOM 15 C LIG 1 5.351 -4.849 0.522 0.00 0.00 +0.177 C ATOM 16 O LIG 1 6.499 -4.463 0.738 0.00 0.00 -0.291 OA ENDBRANCH 5 15 BRANCH 9 17 ATOM 17 O LIG 1 4.073 1.529 -0.574 0.00 0.00 -0.411 OA BRANCH 17 18 ATOM 18 C LIG 1 2.943 2.308 -0.617 0.00 0.00 +0.408 C ATOM 19 N LIG 1 3.226 3.638 -0.915 0.00 0.00 -0.273 N ATOM 20 C LIG 1 4.583 4.153 -0.922 0.00 0.00 +0.135 C ATOM 21 C LIG 1 2.154 4.608 -0.804 0.00 0.00 +0.135 C ATOM 22 O LIG 1 1.806 1.898 -0.406 0.00 0.00 -0.226 OA ENDBRANCH 17 18 ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 23 ATOM 23 C LIG 1 -1.256 -1.618 -0.441 0.00 0.00 +0.070 A ATOM 24 C LIG 1 -1.648 -0.378 0.085 0.00 0.00 +0.152 A ATOM 25 F LIG 1 -0.719 0.358 0.719 0.00 0.00 -0.203 F ATOM 26 C LIG 1 -2.960 0.093 -0.027 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -3.900 -0.723 -0.670 0.00 0.00 +0.017 A ATOM 28 C LIG 1 -3.540 -1.980 -1.188 0.00 0.00 -0.020 A ATOM 29 C LIG 1 -2.207 -2.410 -1.082 0.00 0.00 +0.032 A BRANCH 26 30 ATOM 30 C LIG 1 -3.327 1.399 0.492 0.00 0.00 +0.022 A ATOM 31 C LIG 1 -4.578 1.754 0.956 0.00 0.00 +0.117 A ATOM 32 N LIG 1 -4.478 3.056 1.347 0.00 0.00 -0.268 N ATOM 33 N LIG 1 -3.260 3.589 1.177 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -2.555 2.578 0.662 0.00 0.00 +0.143 A BRANCH 32 35 ATOM 35 C LIG 1 -5.594 3.814 1.952 0.00 0.00 +0.107 C ATOM 36 C LIG 1 -5.914 5.233 1.545 0.00 0.00 +0.029 C ATOM 37 C LIG 1 -6.864 4.127 1.194 0.00 0.00 +0.029 C ENDBRANCH 32 35 ENDBRANCH 26 30 BRANCH 28 38 ATOM 38 C LIG 1 -4.548 -2.839 -1.907 0.00 0.00 +0.191 C BRANCH 38 39 ATOM 39 O LIG 1 -5.812 -2.760 -1.260 0.00 0.00 -0.390 OA ATOM 40 H LIG 1 -6.398 -3.381 -1.724 0.00 0.00 +0.210 HD ENDBRANCH 38 39 ENDBRANCH 28 38 ENDBRANCH 2 23 TORSDOF 9