REMARK Name = BDB045390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.337 -3.464 1.525 0.00 0.00 +0.050 C ATOM 2 C LIG 1 -3.772 -3.214 0.993 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -4.744 -4.181 1.699 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -4.778 -4.077 3.161 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -5.627 -3.599 3.462 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 -3.615 -3.401 3.732 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -2.317 -3.792 3.032 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 0.373 -0.216 0.505 0.00 0.00 +0.121 A ATOM 9 C LIG 1 0.566 -1.494 -0.013 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -0.312 -2.531 0.324 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.396 -2.312 1.186 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -1.577 -1.025 1.707 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.700 0.009 1.369 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 1.144 0.886 0.259 0.00 0.00 -0.490 OA BRANCH 14 15 ATOM 15 C LIG 1 2.173 0.790 -0.725 0.00 0.00 +0.257 C BRANCH 15 16 ATOM 16 C LIG 1 3.491 0.325 -0.105 0.00 0.00 +0.200 C BRANCH 16 17 ATOM 17 O LIG 1 4.512 0.199 -1.096 0.00 0.00 -0.376 OA BRANCH 17 18 ATOM 18 C LIG 1 5.225 1.411 -1.351 0.00 0.00 +0.164 C BRANCH 18 19 ATOM 19 C LIG 1 6.388 1.573 -0.371 0.00 0.00 +0.063 C BRANCH 19 23 ATOM 20 C LIG 1 8.643 5.152 -1.196 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.974 3.957 -1.833 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.248 2.796 -1.561 0.00 0.00 +0.004 A ATOM 23 C LIG 1 7.187 2.820 -0.647 0.00 0.00 -0.045 A ATOM 24 C LIG 1 6.859 4.027 -0.016 0.00 0.00 +0.004 A ATOM 25 C LIG 1 7.586 5.187 -0.289 0.00 0.00 +0.000 A ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -3.763 -3.439 -0.428 0.00 0.00 -0.370 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.856 -2.850 -1.134 0.00 0.00 +0.195 C BRANCH 27 28 ATOM 28 C LIG 1 -4.756 -1.347 -1.234 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -3.531 -0.727 -1.526 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -3.425 0.670 -1.621 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -4.577 1.466 -1.439 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -4.469 2.864 -1.532 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -3.238 3.467 -1.796 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -2.103 2.683 -1.973 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.804 0.842 -1.168 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -2.196 1.293 -1.889 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -5.893 -0.549 -1.069 0.00 0.00 +0.006 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 11