REMARK Name = BDB032849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.493 2.058 -0.028 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.106 1.887 0.024 0.00 0.00 +0.091 A ATOM 3 C LIG 1 0.734 3.006 0.093 0.00 0.00 +0.144 A ATOM 4 C LIG 1 0.212 4.299 0.053 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.168 4.475 -0.025 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.015 3.363 -0.065 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -2.184 -0.200 0.611 0.00 0.00 -0.311 N ATOM 8 H LIG 1 -1.415 -0.192 1.281 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.467 0.938 -0.108 0.00 0.00 +0.245 C ATOM 10 O LIG 1 -3.481 1.080 -0.783 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 -3.125 -1.297 0.699 0.00 0.00 +0.104 C BRANCH 11 13 ATOM 12 C LIG 1 -3.393 -3.762 1.131 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -2.413 -2.605 1.024 0.00 0.00 +0.015 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 2 14 ATOM 14 C LIG 1 0.505 0.551 -0.024 0.00 0.00 +0.254 C ATOM 15 N LIG 1 0.889 0.166 -1.283 0.00 0.00 -0.260 N ATOM 16 H LIG 1 0.746 0.786 -2.070 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 0.594 -0.059 1.033 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 1.445 -1.036 -1.639 0.00 0.00 +0.167 A ATOM 19 S LIG 1 1.755 -2.286 -0.519 0.00 0.00 -0.028 S ATOM 20 C LIG 1 2.355 -3.242 -1.786 0.00 0.00 +0.185 A ATOM 21 C LIG 1 2.294 -2.564 -2.979 0.00 0.00 +0.153 A ATOM 22 N LIG 1 1.770 -1.285 -2.888 0.00 0.00 -0.231 NA BRANCH 20 23 ATOM 23 N LIG 1 2.846 -4.565 -1.573 0.00 0.00 +0.065 N ATOM 24 O LIG 1 3.268 -5.158 -2.574 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 2.820 -5.023 -0.425 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 2 14 BRANCH 3 26 ATOM 26 O LIG 1 2.121 2.837 0.141 0.00 0.00 -0.425 OA BRANCH 26 27 ATOM 27 C LIG 1 2.623 2.936 1.436 0.00 0.00 +0.309 C ATOM 28 O LIG 1 1.991 3.221 2.444 0.00 0.00 -0.251 OA ATOM 29 C LIG 1 4.095 2.651 1.408 0.00 0.00 +0.136 C ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 8