REMARK Name = BDB000475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.166 -0.661 0.847 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.085 -1.204 -0.096 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -3.277 -1.438 -0.914 0.00 0.00 -0.005 A ATOM 4 C LIG 1 -2.409 -0.883 0.042 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.931 -0.066 1.044 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.306 0.192 1.103 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -5.198 -0.358 0.170 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -4.660 -1.176 -0.836 0.00 0.00 +0.017 A BRANCH 7 9 ATOM 9 C LIG 1 -6.639 -0.051 0.299 0.00 0.00 +0.109 A ATOM 10 S LIG 1 -7.827 -0.731 -0.752 0.00 0.00 -0.075 S ATOM 11 C LIG 1 -9.059 0.109 0.083 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -8.513 0.854 1.107 0.00 0.00 +0.049 A ATOM 13 N LIG 1 -7.136 0.755 1.220 0.00 0.00 -0.244 NA BRANCH 12 14 ATOM 14 C LIG 1 -9.248 1.728 2.068 0.00 0.00 +0.052 C ATOM 15 C LIG 1 -9.325 3.168 1.591 0.00 0.00 +0.010 C ENDBRANCH 12 14 ENDBRANCH 7 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.763 -2.341 -2.016 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 17 C LIG 1 -2.094 -4.684 -2.655 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -2.612 -3.787 -1.542 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.234 -1.163 0.514 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.672 -0.755 -0.891 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 3.012 -1.185 -1.139 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 4.045 -0.353 -0.806 0.00 0.00 +0.121 A ATOM 23 C LIG 1 3.940 0.861 -0.126 0.00 0.00 +0.049 A ATOM 24 C LIG 1 5.101 1.574 0.145 0.00 0.00 -0.040 A ATOM 25 C LIG 1 5.208 2.910 0.809 0.00 0.00 +0.036 C ATOM 26 C LIG 1 6.690 2.922 1.199 0.00 0.00 +0.013 C ATOM 27 C LIG 1 7.438 2.091 0.130 0.00 0.00 +0.030 C ATOM 28 C LIG 1 6.360 1.106 -0.251 0.00 0.00 -0.040 A ATOM 29 C LIG 1 6.473 -0.086 -0.944 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.309 -0.816 -1.208 0.00 0.00 +0.046 A BRANCH 27 31 ATOM 31 C LIG 1 8.712 1.478 0.713 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 9.660 0.981 -0.351 0.00 0.00 +0.305 C ATOM 33 O LIG 1 9.668 1.344 -1.516 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 10.563 0.095 0.130 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 10.461 -0.104 1.079 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13