REMARK Name = BDB053551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.381 1.321 -0.163 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -2.935 0.836 1.071 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.592 0.505 1.258 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.672 0.645 0.218 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -1.108 1.130 -1.014 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.454 1.465 -1.203 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -4.838 1.671 -0.368 0.00 0.00 +0.078 C BRANCH 7 8 ATOM 8 C LIG 1 -5.775 0.467 -0.588 0.00 0.00 +0.230 C BRANCH 8 9 ATOM 9 C LIG 1 -5.310 -0.367 -1.802 0.00 0.00 +0.334 C ATOM 10 O LIG 1 -4.941 -1.532 -1.761 0.00 0.00 -0.248 OA BRANCH 9 11 ATOM 11 O LIG 1 -5.404 0.298 -2.984 0.00 0.00 -0.479 OA ATOM 12 H LIG 1 -5.762 1.203 -2.923 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 O LIG 1 -5.894 -0.230 0.653 0.00 0.00 -0.365 OA BRANCH 13 15 ATOM 14 C LIG 1 -8.251 -0.560 1.097 0.00 0.00 +0.034 C ATOM 15 C LIG 1 -6.935 -1.203 0.694 0.00 0.00 +0.157 C ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 16 ATOM 16 O LIG 1 0.607 0.281 0.535 0.00 0.00 -0.486 OA BRANCH 16 17 ATOM 17 C LIG 1 1.565 0.277 -0.528 0.00 0.00 +0.288 C BRANCH 17 18 ATOM 18 C LIG 1 2.884 -0.240 -0.064 0.00 0.00 +0.120 A ATOM 19 C LIG 1 3.164 -1.278 0.798 0.00 0.00 +0.129 A ATOM 20 C LIG 1 2.351 -2.226 1.577 0.00 0.00 +0.088 C ATOM 21 O LIG 1 4.521 -1.380 0.906 0.00 0.00 -0.440 OA ATOM 22 C LIG 1 5.019 -0.391 0.090 0.00 0.00 +0.234 A ATOM 23 N LIG 1 4.069 0.308 -0.514 0.00 0.00 -0.210 NA BRANCH 22 24 ATOM 24 C LIG 1 6.421 -0.137 -0.098 0.00 0.00 +0.074 A ATOM 25 S LIG 1 7.623 -1.068 0.691 0.00 0.00 -0.089 S ATOM 26 C LIG 1 8.895 -0.176 -0.027 0.00 0.00 -0.013 A ATOM 27 C LIG 1 10.310 -0.522 0.282 0.00 0.00 +0.051 C ATOM 28 C LIG 1 8.414 0.817 -0.855 0.00 0.00 +0.012 A ATOM 29 C LIG 1 6.989 0.838 -0.895 0.00 0.00 +0.021 A ENDBRANCH 22 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 4 16 TORSDOF 10