REMARK Name = BDB037291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.714 0.599 1.369 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.500 0.125 0.827 0.00 0.00 +0.106 A ATOM 3 C LIG 1 0.958 1.165 0.043 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.150 1.139 -0.695 0.00 0.00 +0.056 A ATOM 5 C LIG 1 2.957 -0.022 -0.620 0.00 0.00 -0.009 A ATOM 6 C LIG 1 2.479 -1.095 0.145 0.00 0.00 +0.004 A ATOM 7 C LIG 1 3.098 -2.419 0.420 0.00 0.00 +0.080 C ATOM 8 C LIG 1 1.894 -3.151 1.010 0.00 0.00 +0.234 C ATOM 9 O LIG 1 0.976 -2.180 1.561 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 0.067 2.190 0.106 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 1.281 -1.024 0.858 0.00 0.00 +0.138 A ATOM 12 N LIG 1 -0.986 1.835 0.936 0.00 0.00 -0.060 NA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 4.253 -0.125 -1.402 0.00 0.00 +0.149 C ATOM 14 O LIG 1 5.255 -0.851 -0.659 0.00 0.00 -0.372 OA ATOM 15 C LIG 1 6.521 -0.199 -0.818 0.00 0.00 +0.161 C ATOM 16 C LIG 1 6.361 0.780 -1.956 0.00 0.00 +0.031 C ATOM 17 C LIG 1 4.920 1.192 -1.795 0.00 0.00 +0.038 C ENDBRANCH 5 13 BRANCH 1 18 ATOM 18 N LIG 1 -1.517 -0.143 2.222 0.00 0.00 -0.196 N ATOM 19 H LIG 1 -1.288 -1.125 2.363 0.00 0.00 +0.175 HD BRANCH 18 20 ATOM 20 S LIG 1 -3.094 0.249 2.609 0.00 0.00 +0.081 S ATOM 21 O LIG 1 -3.653 -0.927 3.250 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -3.057 1.513 3.316 0.00 0.00 -0.150 OA BRANCH 20 24 ATOM 23 C LIG 1 -3.767 -0.598 0.087 0.00 0.00 +0.150 A ATOM 24 C LIG 1 -3.914 0.413 1.048 0.00 0.00 +0.191 A ATOM 25 C LIG 1 -4.716 1.520 0.755 0.00 0.00 +0.150 A ATOM 26 C LIG 1 -5.345 1.620 -0.493 0.00 0.00 +0.048 A ATOM 27 C LIG 1 -5.152 0.637 -1.462 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -4.360 -0.470 -1.174 0.00 0.00 +0.048 A BRANCH 23 30 ATOM 29 C LIG 1 -3.807 -2.869 0.496 0.00 0.00 +0.277 C ATOM 30 O LIG 1 -2.993 -1.704 0.335 0.00 0.00 -0.493 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 -5.015 2.467 1.694 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 -4.331 3.694 1.427 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 20 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 6