REMARK Name = BDB033760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.766 -2.629 -0.450 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -2.187 -1.447 -0.031 0.00 0.00 +0.093 A ATOM 3 N LIG 1 -0.876 -1.178 -0.258 0.00 0.00 -0.213 NA ATOM 4 C LIG 1 -0.123 -2.089 -0.888 0.00 0.00 +0.220 A ATOM 5 N LIG 1 -0.614 -3.260 -1.319 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 -1.922 -3.504 -1.093 0.00 0.00 +0.135 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -2.902 -0.361 0.669 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -3.675 -0.593 1.822 0.00 0.00 +0.055 A ATOM 9 C LIG 1 -4.335 0.462 2.451 0.00 0.00 +0.117 A ATOM 10 C LIG 1 -4.235 1.760 1.969 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -3.462 2.014 0.841 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -2.801 0.963 0.200 0.00 0.00 +0.010 A BRANCH 9 13 ATOM 13 O LIG 1 -5.099 0.260 3.563 0.00 0.00 -0.507 OA ATOM 14 H LIG 1 -5.145 -0.693 3.748 0.00 0.00 +0.292 HD ENDBRANCH 9 13 ENDBRANCH 2 7 BRANCH 1 16 ATOM 15 N LIG 1 -5.250 -3.259 -0.120 0.00 0.00 -0.191 NA ATOM 16 C LIG 1 -4.140 -2.959 -0.275 0.00 0.00 +0.103 C ENDBRANCH 1 16 BRANCH 4 17 ATOM 17 N LIG 1 1.225 -1.878 -1.155 0.00 0.00 -0.284 N ATOM 18 H LIG 1 1.596 -2.683 -1.639 0.00 0.00 +0.155 HD BRANCH 17 19 ATOM 19 C LIG 1 2.130 -0.860 -0.835 0.00 0.00 +0.034 A ATOM 20 C LIG 1 3.437 -0.942 -1.348 0.00 0.00 +0.025 A ATOM 21 C LIG 1 4.390 0.048 -1.086 0.00 0.00 +0.030 A ATOM 22 C LIG 1 4.036 1.150 -0.310 0.00 0.00 +0.105 A ATOM 23 C LIG 1 2.750 1.255 0.217 0.00 0.00 +0.030 A ATOM 24 C LIG 1 1.806 0.257 -0.054 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 S LIG 1 5.238 2.392 0.057 0.00 0.00 +0.056 S ATOM 26 O LIG 1 6.560 1.862 -0.183 0.00 0.00 -0.153 OA ATOM 27 O LIG 1 4.881 3.053 1.291 0.00 0.00 -0.153 OA BRANCH 25 28 ATOM 28 N LIG 1 4.964 3.512 -1.164 0.00 0.00 -0.204 NA ATOM 29 H LIG 1 4.656 4.396 -0.758 0.00 0.00 +0.144 HD ATOM 30 H LIG 1 5.795 3.594 -1.750 0.00 0.00 +0.144 HD ENDBRANCH 25 28 ENDBRANCH 22 25 ENDBRANCH 17 19 ENDBRANCH 4 17 TORSDOF 7