REMARK Name = BDB038904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.175 0.023 -0.105 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.359 -0.811 0.876 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.731 -1.084 0.899 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -2.606 -0.505 -0.035 0.00 0.00 +0.003 A ATOM 5 C LIG 1 -2.051 0.343 -1.009 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -0.679 0.624 -1.031 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.040 -0.806 0.009 0.00 0.00 +0.096 A ATOM 8 C LIG 1 -5.058 0.148 -0.106 0.00 0.00 +0.074 A ATOM 9 N LIG 1 -5.001 1.519 -0.235 0.00 0.00 -0.352 N ATOM 10 H LIG 1 -4.145 2.056 -0.251 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -6.259 2.064 -0.328 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -7.167 1.011 -0.229 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -8.545 1.300 -0.286 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -8.946 2.626 -0.443 0.00 0.00 +0.124 A ATOM 15 F LIG 1 -10.255 2.909 -0.499 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -8.025 3.661 -0.540 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -6.654 3.399 -0.483 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -6.410 -0.194 -0.074 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -6.758 -1.542 0.093 0.00 0.00 +0.045 A ATOM 20 CA LIG 1 -5.713 -2.447 0.237 0.00 0.00 +0.149 A ATOM 21 N LIG 1 -4.402 -2.100 0.207 0.00 0.00 -0.238 NA BRANCH 20 22 ATOM 22 C LIG 1 -5.982 -3.905 0.453 0.00 0.00 +0.355 C ATOM 23 O LIG 1 -5.162 -4.784 0.646 0.00 0.00 -0.243 OA BRANCH 22 24 ATOM 24 OXT LIG 1 -7.298 -4.208 0.419 0.00 0.00 -0.476 OA ATOM 25 HXT LIG 1 -7.303 -5.178 0.565 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 4 7 BRANCH 1 27 ATOM 26 C LIG 1 1.863 1.568 0.767 0.00 0.00 +0.157 C ATOM 27 N LIG 1 1.578 0.343 -0.019 0.00 0.00 -0.206 N BRANCH 27 28 ATOM 28 S LIG 1 2.440 0.216 -1.498 0.00 0.00 +0.074 S ATOM 29 O LIG 1 2.094 -1.026 -2.156 0.00 0.00 -0.150 OA ATOM 30 O LIG 1 2.331 1.486 -2.188 0.00 0.00 -0.150 OA BRANCH 28 31 ATOM 31 C LIG 1 4.119 0.040 -0.937 0.00 0.00 +0.109 A ATOM 32 C LIG 1 4.479 -1.112 -0.236 0.00 0.00 +0.029 A ATOM 33 C LIG 1 5.795 -1.265 0.207 0.00 0.00 +0.010 A ATOM 34 C LIG 1 6.766 -0.278 -0.045 0.00 0.00 -0.016 A ATOM 35 C LIG 1 6.377 0.869 -0.763 0.00 0.00 +0.010 A ATOM 36 C LIG 1 5.063 1.030 -1.212 0.00 0.00 +0.029 A BRANCH 34 37 ATOM 37 C LIG 1 8.150 -0.444 0.422 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.803 0.543 1.162 0.00 0.00 +0.119 A ATOM 39 N LIG 1 10.076 0.456 1.620 0.00 0.00 -0.263 NA ATOM 40 C LIG 1 10.745 -0.679 1.331 0.00 0.00 +0.111 A ATOM 41 C LIG 1 10.201 -1.725 0.607 0.00 0.00 +0.020 A ATOM 42 C LIG 1 8.889 -1.603 0.150 0.00 0.00 +0.011 A ENDBRANCH 34 37 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 7