REMARK Name = BDB013506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.106 -1.824 -1.624 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.227 -1.381 -1.524 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.247 -2.176 -0.969 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.940 -3.488 -0.565 0.00 0.00 -0.046 A ATOM 5 C LIG 1 1.969 -4.402 0.042 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -0.382 -3.942 -0.681 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -1.391 -3.124 -1.198 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.157 -0.843 -2.153 0.00 0.00 +0.060 C BRANCH 8 15 ATOM 9 C LIG 1 -2.493 1.431 0.949 0.00 0.00 +0.147 A ATOM 10 C LIG 1 -2.309 2.672 0.340 0.00 0.00 +0.130 A ATOM 11 C LIG 1 -2.082 2.815 -1.022 0.00 0.00 +0.117 A ATOM 12 N LIG 1 -1.909 4.139 -1.323 0.00 0.00 -0.129 NA ATOM 13 N LIG 1 -2.022 4.835 -0.199 0.00 0.00 -0.065 NA ATOM 14 C LIG 1 -2.042 1.680 -1.844 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -2.233 0.408 -1.266 0.00 0.00 -0.034 A ATOM 16 N LIG 1 -2.274 3.961 0.795 0.00 0.00 -0.243 N ATOM 17 C LIG 1 -2.446 4.425 2.145 0.00 0.00 +0.175 C ATOM 18 C LIG 1 -2.473 0.303 0.117 0.00 0.00 +0.052 A BRANCH 9 20 ATOM 19 C LIG 1 -1.697 0.606 2.955 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -2.731 1.340 2.294 0.00 0.00 -0.493 OA ENDBRANCH 9 20 ENDBRANCH 8 15 BRANCH 8 21 ATOM 21 C LIG 1 -3.587 -1.382 -2.347 0.00 0.00 +0.133 C BRANCH 21 22 ATOM 22 C LIG 1 -3.689 -2.329 -3.518 0.00 0.00 +0.306 C ATOM 23 O LIG 1 -2.878 -2.423 -4.425 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.828 -3.060 -3.494 0.00 0.00 -0.481 OA ATOM 25 H LIG 1 -5.417 -2.864 -2.741 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 8 21 ENDBRANCH 1 8 BRANCH 3 26 ATOM 26 C LIG 1 2.632 -1.582 -0.846 0.00 0.00 +0.144 C BRANCH 26 27 ATOM 27 N LIG 1 3.214 -1.566 0.519 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 4.690 -1.533 0.490 0.00 0.00 +0.132 C BRANCH 27 29 ATOM 29 S LIG 1 2.468 -0.601 1.708 0.00 0.00 +0.061 S ATOM 30 O LIG 1 3.244 -0.714 2.928 0.00 0.00 -0.153 OA ATOM 31 O LIG 1 1.045 -0.862 1.735 0.00 0.00 -0.153 OA BRANCH 29 32 ATOM 32 C LIG 1 2.689 1.063 1.109 0.00 0.00 +0.105 A ATOM 33 C LIG 1 3.864 1.758 1.411 0.00 0.00 +0.028 A ATOM 34 C LIG 1 4.016 3.074 0.973 0.00 0.00 +0.002 A ATOM 35 C LIG 1 2.991 3.694 0.255 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.808 3.007 -0.020 0.00 0.00 +0.002 A ATOM 37 C LIG 1 1.650 1.691 0.413 0.00 0.00 +0.028 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 10