REMARK Name = BDB032856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.496 1.131 0.082 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -0.090 1.309 0.017 0.00 0.00 +0.100 A ATOM 3 C LIG 1 0.422 2.614 -0.126 0.00 0.00 +0.146 A ATOM 4 C LIG 1 -0.418 3.718 -0.277 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.794 3.532 -0.246 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -2.326 2.252 -0.060 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.347 -0.573 0.322 0.00 0.00 +0.217 C ATOM 8 N LIG 1 -2.025 -0.167 0.300 0.00 0.00 -0.285 N ATOM 9 H LIG 1 -1.325 -0.883 0.512 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -4.325 0.129 0.094 0.00 0.00 -0.275 OA BRANCH 7 11 ATOM 11 C LIG 1 -3.465 -2.049 0.681 0.00 0.00 +0.096 C BRANCH 11 13 ATOM 12 C LIG 1 -5.334 -2.798 -0.862 0.00 0.00 +0.004 C ATOM 13 C LIG 1 -4.887 -2.598 0.580 0.00 0.00 +0.006 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 2 14 ATOM 14 C LIG 1 0.818 0.114 0.079 0.00 0.00 +0.255 C ATOM 15 N LIG 1 1.993 0.225 -0.628 0.00 0.00 -0.260 N ATOM 16 H LIG 1 2.175 1.062 -1.167 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 0.437 -0.879 0.692 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 3.006 -0.694 -0.714 0.00 0.00 +0.167 A ATOM 19 S LIG 1 2.973 -2.204 0.078 0.00 0.00 -0.028 S ATOM 20 C LIG 1 4.498 -2.557 -0.575 0.00 0.00 +0.185 A ATOM 21 C LIG 1 4.950 -1.515 -1.347 0.00 0.00 +0.153 A ATOM 22 N LIG 1 4.084 -0.436 -1.422 0.00 0.00 -0.231 NA BRANCH 20 23 ATOM 23 N LIG 1 5.170 -3.789 -0.316 0.00 0.00 +0.065 N ATOM 24 O LIG 1 6.288 -3.920 -0.832 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 4.604 -4.630 0.393 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 2 14 BRANCH 3 26 ATOM 26 O LIG 1 1.800 2.871 -0.165 0.00 0.00 -0.425 OA BRANCH 26 27 ATOM 27 C LIG 1 2.342 3.082 1.102 0.00 0.00 +0.309 C ATOM 28 O LIG 1 1.743 3.029 2.166 0.00 0.00 -0.251 OA ATOM 29 C LIG 1 3.807 3.368 0.962 0.00 0.00 +0.136 C ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 8