REMARK Name = BDB060130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.018 -2.057 0.160 0.00 0.00 -0.325 N ATOM 2 C LIG 1 2.143 -1.869 -0.911 0.00 0.00 +0.035 A ATOM 3 C LIG 1 2.392 -2.054 -2.261 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.355 -1.857 -3.178 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.076 -1.483 -2.741 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.181 -1.272 -1.383 0.00 0.00 +0.057 A ATOM 7 C LIG 1 0.857 -1.504 -0.487 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.833 -1.471 1.008 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.337 -1.468 1.323 0.00 0.00 +0.110 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 4.468 -1.978 0.036 0.00 0.00 +0.140 C BRANCH 10 14 ATOM 11 C LIG 1 6.043 2.048 0.401 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.255 1.105 1.408 0.00 0.00 +0.046 A ATOM 13 C LIG 1 5.749 -0.192 1.290 0.00 0.00 +0.009 A ATOM 14 C LIG 1 5.019 -0.572 0.155 0.00 0.00 -0.030 A ATOM 15 C LIG 1 4.814 0.379 -0.854 0.00 0.00 +0.009 A ATOM 16 C LIG 1 5.319 1.679 -0.732 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 6.357 4.285 -0.334 0.00 0.00 +0.277 C ATOM 18 O LIG 1 6.588 3.278 0.644 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 10 14 ENDBRANCH 1 10 BRANCH 6 19 ATOM 19 N LIG 1 -1.509 -1.022 -0.873 0.00 0.00 -0.192 N BRANCH 19 20 ATOM 20 S LIG 1 -2.409 0.181 -1.704 0.00 0.00 +0.076 S ATOM 21 O LIG 1 -1.574 1.341 -1.938 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -3.030 -0.486 -2.832 0.00 0.00 -0.150 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.678 0.658 -0.511 0.00 0.00 +0.115 A ATOM 24 C LIG 1 -3.287 1.392 0.638 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -1.877 1.849 0.909 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -4.266 1.767 1.577 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -5.606 1.421 1.411 0.00 0.00 -0.050 A ATOM 28 C LIG 1 -6.633 1.851 2.417 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -5.984 0.725 0.262 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -5.044 0.336 -0.713 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -5.590 -0.381 -1.918 0.00 0.00 +0.046 C ENDBRANCH 20 23 ENDBRANCH 19 20 BRANCH 19 32 ATOM 32 C LIG 1 -2.266 -2.257 -0.527 0.00 0.00 +0.251 C BRANCH 32 33 ATOM 33 C LIG 1 -2.843 -2.204 0.875 0.00 0.00 +0.324 C ATOM 34 O LIG 1 -2.363 -1.582 1.812 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.947 -2.978 1.034 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 -4.252 -3.445 0.234 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 19 32 ENDBRANCH 6 19 TORSDOF 9