REMARK Name = BDB013546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.958 0.501 1.400 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.020 1.729 0.714 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -2.207 2.647 0.812 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.033 2.082 -0.140 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.127 1.233 -0.325 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.218 0.017 0.361 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.187 -0.306 1.257 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.105 -0.028 2.233 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -5.872 -0.187 1.462 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -5.795 0.437 0.176 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.438 -0.403 -0.841 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.468 -1.406 -0.816 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -4.245 -2.190 -1.963 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -4.975 -1.966 -3.130 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -5.922 -0.949 -3.164 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -3.387 -1.709 0.557 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -4.017 -2.705 1.397 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.072 -1.957 -0.011 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -3.338 -0.257 1.434 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.145 -0.170 -2.028 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -4.564 0.085 2.216 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -8.389 0.153 1.553 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -7.052 0.442 2.222 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.328 -1.010 0.110 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.601 -0.421 -0.501 0.00 0.00 -0.039 A ATOM 26 C LIG 1 4.610 0.062 0.350 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.793 0.621 -0.160 0.00 0.00 -0.030 A ATOM 28 C LIG 1 6.835 1.164 0.796 0.00 0.00 +0.119 C ATOM 29 N LIG 1 8.180 1.343 0.221 0.00 0.00 -0.301 NA ATOM 30 C LIG 1 8.080 2.032 -1.073 0.00 0.00 +0.089 C ATOM 31 C LIG 1 7.232 1.297 -2.123 0.00 0.00 +0.051 C ATOM 32 C LIG 1 8.901 0.075 0.127 0.00 0.00 +0.105 C ATOM 33 C LIG 1 5.957 0.730 -1.551 0.00 0.00 -0.042 A ATOM 34 C LIG 1 4.957 0.255 -2.406 0.00 0.00 +0.004 A ATOM 35 C LIG 1 3.790 -0.308 -1.887 0.00 0.00 +0.004 A ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 1.767 -2.204 -0.698 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 1.355 -3.323 0.220 0.00 0.00 +0.306 C ATOM 38 O LIG 1 2.159 -4.052 0.785 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 0.028 -3.464 0.398 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 -0.563 -2.787 -0.019 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 6 24 TORSDOF 8