REMARK Name = BDB052203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.111 1.187 -1.229 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.043 0.470 -0.949 0.00 0.00 +0.152 A ATOM 3 O LIG 1 -1.266 -0.859 -1.239 0.00 0.00 -0.458 OA ATOM 4 C LIG 1 -2.500 -1.196 -0.688 0.00 0.00 +0.127 C ATOM 5 C LIG 1 -3.251 0.036 -0.205 0.00 0.00 +0.117 C ATOM 6 C LIG 1 -4.415 0.393 -1.132 0.00 0.00 +0.033 C ATOM 7 C LIG 1 -3.699 -0.320 1.211 0.00 0.00 +0.169 C ATOM 8 O LIG 1 -3.499 0.399 2.193 0.00 0.00 -0.295 OA ATOM 9 C LIG 1 -4.418 -1.643 1.395 0.00 0.00 +0.192 C ATOM 10 C LIG 1 -4.050 -2.697 0.374 0.00 0.00 +0.177 C ATOM 11 O LIG 1 -4.634 -3.775 0.298 0.00 0.00 -0.291 OA ATOM 12 C LIG 1 -2.868 -2.464 -0.486 0.00 0.00 +0.090 C ATOM 13 C LIG 1 -2.152 1.054 -0.324 0.00 0.00 +0.058 A ATOM 14 C LIG 1 -2.130 2.392 0.016 0.00 0.00 +0.128 A ATOM 15 C LIG 1 -0.983 3.141 -0.239 0.00 0.00 +0.092 A ATOM 16 C LIG 1 0.124 2.544 -0.875 0.00 0.00 +0.139 A ENDROOT BRANCH 1 19 ATOM 17 N LIG 1 1.644 -0.677 -1.405 0.00 0.00 -0.307 N ATOM 18 H LIG 1 1.207 -1.022 -0.562 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.267 0.552 -1.902 0.00 0.00 +0.251 C ATOM 20 O LIG 1 1.830 1.113 -2.834 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 2.844 -1.344 -1.853 0.00 0.00 +0.139 C BRANCH 21 25 ATOM 22 C LIG 1 5.959 -0.923 1.117 0.00 0.00 +0.120 A ATOM 23 C LIG 1 5.614 0.153 0.300 0.00 0.00 +0.046 A ATOM 24 C LIG 1 4.610 0.009 -0.664 0.00 0.00 +0.009 A ATOM 25 C LIG 1 3.938 -1.211 -0.826 0.00 0.00 -0.030 A ATOM 26 C LIG 1 4.285 -2.286 0.002 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.289 -2.139 0.962 0.00 0.00 +0.046 A BRANCH 22 29 ATOM 28 C LIG 1 7.633 0.296 2.282 0.00 0.00 +0.277 C ATOM 29 O LIG 1 6.916 -0.918 2.094 0.00 0.00 -0.495 OA ENDBRANCH 22 29 ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 9 30 ATOM 30 C LIG 1 -5.909 -1.468 1.514 0.00 0.00 +0.148 C ATOM 31 O LIG 1 -6.527 -0.671 0.807 0.00 0.00 -0.296 OA ATOM 32 C LIG 1 -6.627 -2.330 2.521 0.00 0.00 +0.087 C ENDBRANCH 9 30 BRANCH 14 33 ATOM 33 O LIG 1 -3.235 2.952 0.571 0.00 0.00 -0.506 OA ATOM 34 H LIG 1 -3.006 3.822 0.940 0.00 0.00 +0.292 HD ENDBRANCH 14 33 BRANCH 16 35 ATOM 35 O LIG 1 1.254 3.305 -1.041 0.00 0.00 -0.494 OA ATOM 36 C LIG 1 1.134 4.132 -2.201 0.00 0.00 +0.277 C ENDBRANCH 16 35 TORSDOF 7