REMARK Name = BDB015364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.200 -1.408 0.059 0.00 0.00 -0.172 N ATOM 2 C LIG 1 1.192 -1.597 0.167 0.00 0.00 +0.201 C ATOM 3 N LIG 1 1.742 -2.192 -0.844 0.00 0.00 -0.253 NA ATOM 4 C LIG 1 0.665 -2.431 -1.831 0.00 0.00 +0.166 C ATOM 5 C LIG 1 -0.660 -2.153 -1.128 0.00 0.00 +0.158 C ENDROOT BRANCH 2 6 ATOM 6 N LIG 1 1.833 -1.158 1.289 0.00 0.00 -0.300 N ATOM 7 C LIG 1 1.906 0.300 1.521 0.00 0.00 +0.123 C ATOM 8 C LIG 1 3.110 0.915 0.766 0.00 0.00 +0.103 C ATOM 9 N LIG 1 4.385 0.294 1.174 0.00 0.00 -0.296 NA ATOM 10 C LIG 1 4.311 -1.167 0.938 0.00 0.00 +0.103 C ATOM 11 C LIG 1 3.105 -1.810 1.657 0.00 0.00 +0.123 C BRANCH 9 12 ATOM 12 C LIG 1 5.614 0.825 0.567 0.00 0.00 +0.057 C ATOM 13 C LIG 1 5.483 1.458 -0.837 0.00 0.00 +0.019 C ATOM 14 C LIG 1 6.451 2.554 -0.326 0.00 0.00 +0.003 C ATOM 15 C LIG 1 5.928 2.244 1.098 0.00 0.00 +0.019 C ENDBRANCH 9 12 ENDBRANCH 2 6 BRANCH 1 16 ATOM 16 S LIG 1 -1.270 -1.394 1.370 0.00 0.00 +0.077 S ATOM 17 O LIG 1 -1.611 -2.765 1.694 0.00 0.00 -0.150 OA ATOM 18 O LIG 1 -0.843 -0.465 2.395 0.00 0.00 -0.150 OA BRANCH 16 22 ATOM 19 C LIG 1 -4.971 0.537 -0.529 0.00 0.00 -0.045 A ATOM 20 C LIG 1 -4.987 -0.820 -0.164 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -3.867 -1.416 0.418 0.00 0.00 +0.029 A ATOM 22 C LIG 1 -2.718 -0.653 0.633 0.00 0.00 +0.109 A ATOM 23 C LIG 1 -2.684 0.700 0.289 0.00 0.00 +0.029 A ATOM 24 C LIG 1 -3.808 1.289 -0.293 0.00 0.00 +0.006 A BRANCH 19 26 ATOM 25 C LIG 1 -7.382 1.204 -0.210 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -6.182 1.205 -1.160 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -6.545 0.562 -2.500 0.00 0.00 +0.012 C ENDBRANCH 19 26 ENDBRANCH 16 22 ENDBRANCH 1 16 TORSDOF 5