REMARK Name = BDB032848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.750 -0.553 -0.205 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.444 -1.052 -0.325 0.00 0.00 +0.029 A ATOM 3 C LIG 1 0.646 -0.326 0.180 0.00 0.00 +0.080 A ATOM 4 C LIG 1 0.401 0.881 0.849 0.00 0.00 +0.144 A ATOM 5 C LIG 1 -0.897 1.389 0.968 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.972 0.667 0.449 0.00 0.00 +0.016 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -4.002 -0.658 -1.140 0.00 0.00 -0.311 N ATOM 8 H LIG 1 -3.914 0.338 -1.288 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.871 -1.359 -0.766 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -2.749 -2.569 -0.906 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 -5.089 -1.337 -1.818 0.00 0.00 +0.104 C BRANCH 11 13 ATOM 12 C LIG 1 -6.950 -0.363 -0.401 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -6.376 -0.518 -1.802 0.00 0.00 +0.015 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 14 ATOM 14 C LIG 1 2.011 -0.894 -0.024 0.00 0.00 +0.253 C ATOM 15 N LIG 1 3.010 0.038 -0.191 0.00 0.00 -0.261 N ATOM 16 H LIG 1 2.796 1.024 -0.192 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 2.134 -2.111 -0.067 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 4.318 -0.309 -0.383 0.00 0.00 +0.167 A ATOM 19 S LIG 1 5.364 1.031 -0.577 0.00 0.00 -0.028 S ATOM 20 C LIG 1 6.664 -0.054 -0.746 0.00 0.00 +0.185 A ATOM 21 C LIG 1 6.233 -1.355 -0.643 0.00 0.00 +0.153 A ATOM 22 N LIG 1 4.873 -1.493 -0.429 0.00 0.00 -0.231 NA BRANCH 20 23 ATOM 23 N LIG 1 8.000 0.398 -0.962 0.00 0.00 +0.065 N ATOM 24 O LIG 1 8.201 1.618 -1.007 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 8.864 -0.479 -1.085 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 4 26 ATOM 26 O LIG 1 1.459 1.628 1.385 0.00 0.00 -0.425 OA BRANCH 26 27 ATOM 27 C LIG 1 1.547 1.544 2.775 0.00 0.00 +0.309 C ATOM 28 O LIG 1 0.788 0.939 3.517 0.00 0.00 -0.251 OA ATOM 29 C LIG 1 2.739 2.330 3.232 0.00 0.00 +0.136 C ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8