REMARK Name = BDB036556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.002 0.143 -1.589 0.00 0.00 +0.142 A ATOM 2 C LIG 1 0.938 -0.192 -0.579 0.00 0.00 +0.078 A ATOM 3 C LIG 1 0.654 -1.238 0.311 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.562 -1.898 0.148 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -1.506 -1.599 -0.818 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -2.552 -2.527 -0.557 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -2.239 -3.343 0.457 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -1.002 -2.931 0.909 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 -1.214 -0.557 -1.720 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -0.519 1.565 -3.442 0.00 0.00 +0.277 C ATOM 11 O LIG 1 0.376 1.193 -2.400 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 2.158 0.532 -0.542 0.00 0.00 -0.297 N ATOM 13 H LIG 1 2.048 1.434 -1.011 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 3.339 0.228 0.038 0.00 0.00 +0.119 A ATOM 15 N LIG 1 3.779 -1.045 0.266 0.00 0.00 -0.264 N ATOM 16 H LIG 1 3.312 -1.910 0.026 0.00 0.00 +0.190 HD ATOM 17 N LIG 1 4.991 -1.111 0.842 0.00 0.00 -0.177 NA ATOM 18 C LIG 1 5.380 0.170 0.935 0.00 0.00 +0.070 A ATOM 19 C LIG 1 4.381 1.040 0.421 0.00 0.00 +0.068 A BRANCH 18 20 ATOM 20 C LIG 1 6.739 0.512 1.524 0.00 0.00 +0.006 C ATOM 21 C LIG 1 6.985 2.035 1.556 0.00 0.00 +0.017 C ATOM 22 C LIG 1 7.859 -0.132 0.681 0.00 0.00 +0.017 C ATOM 23 C LIG 1 6.837 -0.013 2.972 0.00 0.00 +0.017 C ENDBRANCH 18 20 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 24 ATOM 24 N LIG 1 -3.787 -2.710 -1.169 0.00 0.00 -0.196 N ATOM 25 H LIG 1 -4.360 -3.429 -0.730 0.00 0.00 +0.175 HD BRANCH 24 26 ATOM 26 S LIG 1 -4.747 -1.472 -1.766 0.00 0.00 +0.081 S ATOM 27 O LIG 1 -6.104 -1.980 -1.812 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 -4.121 -1.003 -2.984 0.00 0.00 -0.150 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.712 -0.210 -0.514 0.00 0.00 +0.191 A ATOM 30 C LIG 1 -4.406 1.117 -0.836 0.00 0.00 +0.150 A ATOM 31 C LIG 1 -4.320 2.082 0.171 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -4.588 1.738 1.491 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -4.934 0.425 1.813 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -4.996 -0.562 0.821 0.00 0.00 +0.150 A BRANCH 30 35 ATOM 35 O LIG 1 -4.111 1.533 -2.104 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -5.286 2.012 -2.762 0.00 0.00 +0.277 C ENDBRANCH 30 35 BRANCH 34 37 ATOM 37 O LIG 1 -5.331 -1.866 1.073 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -5.404 -2.286 2.432 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 9