REMARK Name = BDB058773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.080 1.505 -0.398 0.00 0.00 +0.060 A ATOM 2 C LIG 1 -0.105 0.417 0.499 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.337 -0.302 0.463 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.490 -1.390 1.358 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.495 -1.771 2.257 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.696 -1.071 2.292 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.354 0.086 -0.460 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -2.120 1.166 -1.321 0.00 0.00 +0.025 A ATOM 9 C LIG 1 0.884 0.006 1.428 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -0.923 1.867 -1.294 0.00 0.00 +0.027 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -3.598 -0.521 -0.594 0.00 0.00 -0.316 N ATOM 12 C LIG 1 -4.588 -0.403 0.498 0.00 0.00 +0.182 C ATOM 13 C LIG 1 -5.281 -1.773 0.518 0.00 0.00 +0.035 C ATOM 14 C LIG 1 -5.075 -2.307 -0.895 0.00 0.00 +0.021 C ATOM 15 C LIG 1 -3.672 -1.825 -1.245 0.00 0.00 +0.106 C BRANCH 12 16 ATOM 16 C LIG 1 -5.607 0.708 0.216 0.00 0.00 +0.325 C ATOM 17 O LIG 1 -5.778 1.342 -0.812 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O LIG 1 -6.397 0.959 1.288 0.00 0.00 -0.479 OA ATOM 19 H LIG 1 -6.975 1.685 0.970 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 12 16 ENDBRANCH 7 11 BRANCH 1 20 ATOM 20 N LIG 1 1.278 2.296 -0.449 0.00 0.00 -0.192 N BRANCH 20 21 ATOM 21 S LIG 1 2.423 2.005 -1.658 0.00 0.00 +0.075 S ATOM 22 O LIG 1 1.757 1.701 -2.907 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 3.429 3.046 -1.591 0.00 0.00 -0.150 OA BRANCH 21 27 ATOM 24 C LIG 1 4.472 -1.851 -0.285 0.00 0.00 +0.120 A ATOM 25 C LIG 1 3.318 -1.904 -1.075 0.00 0.00 +0.047 A ATOM 26 C LIG 1 2.691 -0.732 -1.501 0.00 0.00 +0.032 A ATOM 27 C LIG 1 3.212 0.503 -1.111 0.00 0.00 +0.109 A ATOM 28 C LIG 1 4.377 0.570 -0.341 0.00 0.00 +0.032 A ATOM 29 C LIG 1 5.001 -0.610 0.076 0.00 0.00 +0.047 A BRANCH 24 31 ATOM 30 C LIG 1 6.190 -3.079 0.809 0.00 0.00 +0.277 C ATOM 31 O LIG 1 4.980 -3.073 0.061 0.00 0.00 -0.495 OA ENDBRANCH 24 31 ENDBRANCH 21 27 ENDBRANCH 20 21 BRANCH 20 32 ATOM 32 C LIG 1 1.657 3.129 0.706 0.00 0.00 +0.251 C BRANCH 32 33 ATOM 33 C LIG 1 1.873 4.583 0.353 0.00 0.00 +0.324 C ATOM 34 O LIG 1 2.578 5.361 0.981 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 1.152 5.020 -0.699 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 1.439 5.948 -0.826 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 20 32 ENDBRANCH 1 20 TORSDOF 10