REMARK Name = BDB058780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.382 -2.410 1.164 0.00 0.00 +0.056 A ATOM 2 C LIG 1 1.703 -1.190 1.804 0.00 0.00 +0.006 A ATOM 3 C LIG 1 0.649 -0.286 2.113 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.989 0.918 2.776 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.305 1.248 3.102 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.329 0.374 2.780 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.705 -0.601 1.764 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -0.963 -1.828 1.149 0.00 0.00 +0.025 A ATOM 9 C LIG 1 3.031 -0.830 2.145 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.063 -2.718 0.846 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 2.391 -3.344 0.776 0.00 0.00 -0.216 N ATOM 12 H LIG 1 3.183 -3.487 1.399 0.00 0.00 +0.174 HD BRANCH 11 13 ATOM 13 S LIG 1 2.797 -3.491 -0.855 0.00 0.00 +0.072 S ATOM 14 O LIG 1 1.620 -3.861 -1.614 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 3.997 -4.301 -0.896 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C LIG 1 3.959 0.762 -2.067 0.00 0.00 +0.120 A ATOM 17 C LIG 1 4.925 -0.123 -1.576 0.00 0.00 +0.047 A ATOM 18 C LIG 1 4.579 -1.425 -1.208 0.00 0.00 +0.032 A ATOM 19 C LIG 1 3.251 -1.837 -1.324 0.00 0.00 +0.109 A ATOM 20 C LIG 1 2.283 -0.972 -1.841 0.00 0.00 +0.032 A ATOM 21 C LIG 1 2.638 0.331 -2.205 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 3.489 2.956 -2.853 0.00 0.00 +0.277 C ATOM 23 O LIG 1 4.435 2.005 -2.381 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N LIG 1 -1.709 0.327 2.056 0.00 0.00 -0.329 N ATOM 25 H LIG 1 -1.460 1.236 1.659 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 CA LIG 1 -3.176 0.140 1.912 0.00 0.00 +0.208 C BRANCH 26 27 ATOM 27 C LIG 1 -3.648 0.302 0.441 0.00 0.00 +0.147 C ATOM 28 C LIG 1 -5.171 0.484 0.394 0.00 0.00 +0.040 C BRANCH 27 29 ATOM 29 O LIG 1 -3.058 1.515 -0.080 0.00 0.00 -0.369 OA BRANCH 29 30 ATOM 30 C LIG 1 -2.562 1.520 -1.429 0.00 0.00 +0.062 C ATOM 31 C LIG 1 -1.332 0.618 -1.578 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -2.126 2.973 -1.679 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -3.628 1.147 -2.463 0.00 0.00 +0.041 C ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 -3.700 -1.089 2.662 0.00 0.00 +0.328 C ATOM 35 O LIG 1 -3.711 -1.243 3.876 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 OXT LIG 1 -4.171 -2.081 1.877 0.00 0.00 -0.479 OA ATOM 37 HXT LIG 1 -4.408 -2.780 2.526 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 26 34 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 11