REMARK Name = BDB056431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.229 0.137 -0.784 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.417 -0.553 0.117 0.00 0.00 +0.047 A ATOM 3 C LIG 1 0.950 -0.272 0.212 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.538 0.702 -0.599 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.713 1.390 -1.501 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.657 1.112 -1.596 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.895 1.063 -0.528 0.00 0.00 -0.287 N ATOM 8 H LIG 1 3.324 1.181 -1.440 0.00 0.00 +0.155 HD BRANCH 7 9 ATOM 9 C LIG 1 3.797 0.802 0.456 0.00 0.00 +0.192 C ATOM 10 N LIG 1 3.448 0.733 1.764 0.00 0.00 -0.253 N ATOM 11 H LIG 1 2.534 0.897 2.148 0.00 0.00 +0.158 HD ATOM 12 C LIG 1 4.556 0.510 2.512 0.00 0.00 +0.269 C ATOM 13 O LIG 1 4.650 0.406 3.717 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 5.625 0.439 1.478 0.00 0.00 +0.130 C ATOM 15 C LIG 1 6.900 0.190 1.800 0.00 0.00 +0.041 C ATOM 16 N LIG 1 5.071 0.648 0.232 0.00 0.00 -0.213 NA BRANCH 15 17 ATOM 17 C LIG 1 8.040 0.081 0.877 0.00 0.00 -0.023 A ATOM 18 C LIG 1 8.162 0.868 -0.274 0.00 0.00 +0.008 A ATOM 19 C LIG 1 9.284 0.757 -1.100 0.00 0.00 +0.001 A ATOM 20 C LIG 1 10.304 -0.136 -0.777 0.00 0.00 +0.000 A ATOM 21 C LIG 1 10.204 -0.914 0.373 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.081 -0.802 1.198 0.00 0.00 +0.008 A ENDBRANCH 15 17 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 O LIG 1 -2.543 -0.235 -0.771 0.00 0.00 -0.490 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.422 0.435 -1.680 0.00 0.00 +0.257 C BRANCH 24 25 ATOM 25 C LIG 1 -4.841 -0.114 -1.506 0.00 0.00 +0.201 C BRANCH 25 26 ATOM 26 O LIG 1 -5.527 0.526 -0.423 0.00 0.00 -0.374 OA BRANCH 26 27 ATOM 27 C LIG 1 -5.322 -0.092 0.854 0.00 0.00 +0.188 C BRANCH 27 28 ATOM 28 C LIG 1 -6.259 -1.286 1.078 0.00 0.00 +0.188 C BRANCH 28 29 ATOM 29 O LIG 1 -7.563 -0.910 1.532 0.00 0.00 -0.376 OA BRANCH 29 30 ATOM 30 C LIG 1 -8.356 -0.165 0.607 0.00 0.00 +0.174 C BRANCH 30 31 ATOM 31 C LIG 1 -8.668 -0.885 -0.718 0.00 0.00 +0.105 C BRANCH 31 32 ATOM 32 N LIG 1 -9.225 -2.227 -0.534 0.00 0.00 -0.328 NA ATOM 33 H LIG 1 -9.904 -2.215 0.226 0.00 0.00 +0.118 HD ATOM 34 H LIG 1 -9.717 -2.516 -1.376 0.00 0.00 +0.118 HD ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 13