REMARK Name = BDB033642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.256 1.128 -0.068 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.250 1.312 1.330 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.401 1.943 2.062 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.848 0.856 2.076 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.933 0.232 1.457 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.946 0.039 0.072 0.00 0.00 -0.038 A ATOM 7 C LIG 1 -0.850 0.501 -0.674 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.408 1.569 -0.950 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 5.156 0.826 -0.443 0.00 0.00 +0.189 C ATOM 10 O LIG 1 4.994 -0.129 0.610 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 4.646 -1.386 0.204 0.00 0.00 +0.147 A ATOM 12 C LIG 1 3.761 -1.747 -0.814 0.00 0.00 +0.147 A ATOM 13 C LIG 1 3.526 -3.108 -1.087 0.00 0.00 +0.032 A ATOM 14 C LIG 1 4.164 -4.102 -0.346 0.00 0.00 +0.002 A ATOM 15 C LIG 1 5.028 -3.745 0.683 0.00 0.00 +0.004 A ATOM 16 S LIG 1 2.796 -0.589 -1.748 0.00 0.00 +0.065 S ATOM 17 O LIG 1 1.486 -1.182 -1.919 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 3.575 -0.196 -2.904 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 2.642 0.769 -0.746 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 5.259 -2.397 0.958 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.857 1.626 -0.608 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 6.262 2.435 1.255 0.00 0.00 +0.007 C ATOM 23 C LIG 1 6.354 1.728 -0.092 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -3.099 -0.668 -0.641 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 -4.352 0.204 -0.623 0.00 0.00 -0.001 A ATOM 26 S LIG 1 -4.763 1.129 -2.007 0.00 0.00 -0.100 S ATOM 27 C LIG 1 -6.158 1.766 -1.253 0.00 0.00 +0.056 A ATOM 28 C LIG 1 -6.333 1.303 0.036 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -5.278 0.392 0.386 0.00 0.00 +0.023 A BRANCH 28 30 ATOM 30 C LIG 1 -7.434 1.681 0.930 0.00 0.00 +0.161 C ATOM 31 O LIG 1 -7.490 1.250 2.082 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 -8.502 2.617 0.420 0.00 0.00 +0.091 C ENDBRANCH 28 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 -3.360 -2.094 -0.095 0.00 0.00 +0.107 C ATOM 34 C LIG 1 -2.126 -3.001 -0.163 0.00 0.00 +0.020 C BRANCH 33 35 ATOM 35 C LIG 1 -4.480 -2.760 -0.860 0.00 0.00 +0.308 C ATOM 36 O LIG 1 -5.510 -3.199 -0.375 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -4.250 -2.873 -2.181 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -5.051 -3.323 -2.523 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9