REMARK Name = BDB061551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.713 0.355 -0.853 0.00 0.00 +0.094 A ATOM 2 C LIG 1 0.154 1.356 -1.630 0.00 0.00 +0.110 A ATOM 3 C LIG 1 -1.192 1.202 -1.921 0.00 0.00 +0.126 A ATOM 4 N LIG 1 -1.922 0.139 -1.509 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -1.301 -0.766 -0.749 0.00 0.00 +0.190 A ATOM 6 N LIG 1 -0.012 -0.696 -0.400 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.766 0.190 1.391 0.00 0.00 +0.166 A ATOM 8 C LIG 1 4.801 0.207 0.442 0.00 0.00 +0.204 A ATOM 9 C LIG 1 4.508 0.319 -0.922 0.00 0.00 +0.166 A ATOM 10 C LIG 1 3.178 0.340 -1.347 0.00 0.00 +0.059 A ATOM 11 C LIG 1 2.123 0.322 -0.422 0.00 0.00 +0.009 A ATOM 12 C LIG 1 2.438 0.242 0.950 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 3.128 0.098 3.691 0.00 0.00 +0.277 C ATOM 14 O LIG 1 4.151 0.108 2.705 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 6.106 0.137 0.868 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 6.513 -1.230 0.945 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 5.442 0.348 -1.925 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 6.467 1.319 -1.718 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 0.905 2.484 -2.078 0.00 0.00 +0.104 C ATOM 20 N LIG 1 1.517 3.392 -2.462 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 -2.121 2.371 -2.905 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 -2.388 3.593 -1.674 0.00 0.00 +0.141 A ATOM 23 S LIG 1 -3.394 4.955 -1.957 0.00 0.00 -0.069 S ATOM 24 C LIG 1 -3.048 5.524 -0.378 0.00 0.00 +0.067 A ATOM 25 C LIG 1 -2.195 4.646 0.253 0.00 0.00 +0.120 A ATOM 26 N LIG 1 -1.821 3.541 -0.487 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 -2.207 -2.167 -0.157 0.00 0.00 -0.081 S BRANCH 27 28 ATOM 28 C LIG 1 -3.902 -1.597 -0.477 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -4.889 -2.589 0.023 0.00 0.00 +0.027 A ATOM 30 C LIG 1 -5.429 -2.694 1.288 0.00 0.00 +0.138 A ATOM 31 C LIG 1 -5.248 -1.950 2.548 0.00 0.00 +0.089 C ATOM 32 O LIG 1 -6.303 -3.733 1.325 0.00 0.00 -0.359 OA ATOM 33 N LIG 1 -6.360 -4.333 0.084 0.00 0.00 -0.083 NA ATOM 34 C LIG 1 -5.508 -3.653 -0.691 0.00 0.00 +0.085 A ATOM 35 C LIG 1 -5.314 -4.048 -2.106 0.00 0.00 +0.069 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10