REMARK Name = BDB057534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.059 0.644 -0.505 0.00 0.00 +0.185 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.441 1.015 -0.114 0.00 0.00 -0.315 N ATOM 3 H LIG 1 -3.489 1.964 0.270 0.00 0.00 +0.148 HD BRANCH 2 7 ATOM 4 C LIG 1 -5.509 -0.569 -2.391 0.00 0.00 +0.137 A ATOM 5 S LIG 1 -6.771 0.508 -1.974 0.00 0.00 -0.056 S ATOM 6 C LIG 1 -5.744 1.252 -0.817 0.00 0.00 +0.101 A ATOM 7 C LIG 1 -4.503 0.643 -0.869 0.00 0.00 +0.139 A ATOM 8 N LIG 1 -4.378 -0.402 -1.748 0.00 0.00 -0.218 NA BRANCH 4 10 ATOM 9 C LIG 1 -4.085 -2.596 -3.559 0.00 0.00 +0.092 C ATOM 10 S LIG 1 -5.712 -1.814 -3.605 0.00 0.00 -0.102 S ENDBRANCH 4 10 BRANCH 6 11 ATOM 11 C LIG 1 -6.143 2.386 -0.006 0.00 0.00 +0.203 C ATOM 12 O LIG 1 -5.331 3.171 0.489 0.00 0.00 -0.286 OA BRANCH 11 13 ATOM 13 C LIG 1 -7.575 2.654 0.280 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -8.421 1.648 0.763 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -9.758 1.940 1.040 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -10.244 3.235 0.850 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -9.396 4.243 0.393 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -8.059 3.957 0.114 0.00 0.00 +0.012 A ENDBRANCH 11 13 ENDBRANCH 6 11 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -1.721 1.187 -1.905 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -2.128 2.237 -2.388 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -0.836 0.455 -2.611 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -0.736 0.971 -3.438 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -1.826 -0.871 -0.328 0.00 0.00 +0.068 C BRANCH 23 24 ATOM 24 C LIG 1 -0.463 -1.196 0.249 0.00 0.00 -0.045 A ATOM 25 C LIG 1 -0.221 -1.037 1.619 0.00 0.00 +0.007 A ATOM 26 C LIG 1 1.038 -1.325 2.151 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.073 -1.776 1.330 0.00 0.00 +0.121 A ATOM 28 C LIG 1 1.837 -1.937 -0.035 0.00 0.00 +0.046 A ATOM 29 C LIG 1 0.577 -1.649 -0.571 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 O LIG 1 3.251 -2.019 1.979 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 4.345 -2.498 1.189 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 5.567 -2.708 2.097 0.00 0.00 +0.150 C BRANCH 32 33 ATOM 33 N LIG 1 6.229 -1.453 2.469 0.00 0.00 -0.285 N ATOM 34 C LIG 1 5.581 -0.630 3.480 0.00 0.00 +0.134 C BRANCH 33 35 ATOM 35 C LIG 1 6.997 -0.804 1.561 0.00 0.00 +0.291 A ATOM 36 O LIG 1 7.401 -1.510 0.455 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 8.145 -0.620 -0.259 0.00 0.00 +0.157 A ATOM 38 C LIG 1 8.154 0.574 0.440 0.00 0.00 +0.111 A ATOM 39 C LIG 1 8.857 1.664 -0.090 0.00 0.00 +0.031 A ATOM 40 C LIG 1 9.523 1.489 -1.313 0.00 0.00 +0.002 A ATOM 41 C LIG 1 9.488 0.262 -1.988 0.00 0.00 +0.004 A ATOM 42 C LIG 1 8.789 -0.836 -1.470 0.00 0.00 +0.048 A ATOM 43 N LIG 1 7.423 0.444 1.590 0.00 0.00 -0.195 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 14