REMARK Name = BDB013524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.012 -0.502 -0.750 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.337 -0.746 -0.442 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.389 -0.204 -1.208 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -1.081 0.598 -2.322 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -2.146 1.201 -3.196 0.00 0.00 +0.044 C ATOM 6 C LIG 1 0.265 0.848 -2.627 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.296 0.310 -1.851 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.096 -1.108 0.144 0.00 0.00 +0.030 C BRANCH 8 9 ATOM 9 C LIG 1 2.393 -0.161 1.336 0.00 0.00 +0.013 C BRANCH 9 10 ATOM 10 C LIG 1 3.277 1.062 1.061 0.00 0.00 +0.039 C BRANCH 10 14 ATOM 11 N LIG 1 6.892 0.520 0.869 0.00 0.00 -0.271 N ATOM 12 N LIG 1 6.736 0.232 2.174 0.00 0.00 -0.179 NA ATOM 13 C LIG 1 5.429 0.406 2.380 0.00 0.00 +0.138 A ATOM 14 C LIG 1 4.737 0.795 1.208 0.00 0.00 -0.010 A ATOM 15 C LIG 1 5.729 0.889 0.255 0.00 0.00 +0.112 A BRANCH 11 17 ATOM 16 C LIG 1 8.518 -0.950 -0.256 0.00 0.00 +0.029 C ATOM 17 C LIG 1 8.207 0.441 0.264 0.00 0.00 +0.140 C ENDBRANCH 11 17 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 8 9 BRANCH 8 18 ATOM 18 C LIG 1 3.313 -1.596 -0.662 0.00 0.00 +0.128 C BRANCH 18 19 ATOM 19 C LIG 1 4.335 -2.408 0.088 0.00 0.00 +0.305 C ATOM 20 O LIG 1 5.450 -2.678 -0.335 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 3.928 -2.893 1.270 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 4.720 -3.357 1.616 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -2.813 -0.534 -0.794 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 N LIG 1 -3.103 -0.138 0.607 0.00 0.00 -0.169 NA ATOM 25 S LIG 1 -4.161 -1.132 1.465 0.00 0.00 +0.065 S ATOM 26 O LIG 1 -3.738 -2.500 1.241 0.00 0.00 -0.153 OA ATOM 27 O LIG 1 -4.288 -0.608 2.808 0.00 0.00 -0.153 OA ATOM 28 C LIG 1 -5.741 -0.940 0.682 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -6.127 0.202 -0.023 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -7.359 0.200 -0.692 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -8.210 -0.905 -0.633 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.830 -2.033 0.086 0.00 0.00 +0.002 A ATOM 33 O LIG 1 -5.420 1.358 -0.205 0.00 0.00 -0.486 OA ATOM 34 C LIG 1 -4.677 1.814 0.931 0.00 0.00 +0.186 C ATOM 35 C LIG 1 -4.721 3.341 0.906 0.00 0.00 +0.053 C ATOM 36 C LIG 1 -6.597 -2.055 0.735 0.00 0.00 +0.032 A ATOM 37 C LIG 1 -3.224 1.329 0.826 0.00 0.00 +0.154 C ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10