REMARK Name = BDB048206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.634 0.150 -0.253 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.788 0.324 0.850 0.00 0.00 +0.252 C ATOM 3 O LIG 1 1.127 0.135 2.016 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 4 C LIG 1 5.072 0.249 1.411 0.00 0.00 +0.113 C ATOM 5 C LIG 1 3.877 0.816 0.630 0.00 0.00 +0.039 C ATOM 6 C LIG 1 3.027 -0.288 -0.025 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.164 -1.616 0.757 0.00 0.00 +0.103 C ATOM 8 N LIG 1 4.544 -2.129 0.754 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 4.658 -2.767 1.542 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 5.563 -1.071 0.806 0.00 0.00 +0.095 C BRANCH 4 11 ATOM 11 C LIG 1 6.198 1.261 1.447 0.00 0.00 +0.311 C ATOM 12 O LIG 1 7.273 1.142 0.876 0.00 0.00 -0.251 OA BRANCH 11 14 ATOM 13 C LIG 1 6.842 3.341 2.314 0.00 0.00 +0.280 C ATOM 14 O LIG 1 5.839 2.330 2.214 0.00 0.00 -0.468 OA ENDBRANCH 11 14 ENDBRANCH 4 11 ENDBRANCH 1 6 BRANCH 2 15 ATOM 15 C LIG 1 -0.593 0.760 0.643 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -1.675 -0.071 0.879 0.00 0.00 +0.135 A ATOM 17 N LIG 1 -2.930 0.374 0.678 0.00 0.00 -0.216 NA ATOM 18 C LIG 1 -3.118 1.658 0.303 0.00 0.00 +0.136 A ATOM 19 N LIG 1 -2.113 2.530 0.096 0.00 0.00 -0.239 NA ATOM 20 C LIG 1 -0.866 2.063 0.293 0.00 0.00 +0.129 A BRANCH 18 21 ATOM 21 C LIG 1 -4.548 2.108 0.014 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -4.912 1.672 -1.415 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -5.531 1.463 1.010 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -4.689 3.638 0.128 0.00 0.00 +0.019 C ENDBRANCH 18 21 BRANCH 16 25 ATOM 25 N LIG 1 -1.471 -1.415 1.251 0.00 0.00 -0.321 N ATOM 26 H LIG 1 -0.780 -1.437 2.002 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.673 -2.164 1.631 0.00 0.00 +0.177 C BRANCH 27 28 ATOM 28 C LIG 1 -3.478 -2.748 0.517 0.00 0.00 +0.122 A ATOM 29 O LIG 1 -4.499 -3.579 0.885 0.00 0.00 -0.466 OA ATOM 30 C LIG 1 -5.101 -3.999 -0.257 0.00 0.00 +0.195 A ATOM 31 C LIG 1 -4.483 -3.454 -1.357 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -3.433 -2.648 -0.859 0.00 0.00 +0.046 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 16 25 ENDBRANCH 2 15 BRANCH 1 33 ATOM 33 C LIG 1 1.176 0.239 -1.651 0.00 0.00 +0.111 C BRANCH 33 34 ATOM 34 C LIG 1 0.523 -1.059 -2.166 0.00 0.00 +0.000 C ATOM 35 C LIG 1 1.556 -2.023 -2.752 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.525 -0.731 -3.233 0.00 0.00 +0.009 C ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 10