REMARK Name = BDB038893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.479 -2.361 -0.105 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -1.753 -1.780 -0.066 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -2.138 -0.462 0.054 0.00 0.00 -0.352 N ATOM 4 H LIG 1 -1.499 0.315 0.145 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 -3.506 -0.341 0.043 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -4.029 -1.626 -0.063 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -5.429 -1.781 -0.085 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -6.248 -0.645 -0.003 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -5.711 0.646 0.103 0.00 0.00 -0.016 A ATOM 10 C LIG 1 -4.312 0.803 0.126 0.00 0.00 +0.034 A ATOM 11 C LIG 1 -2.926 -2.535 -0.121 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -2.826 -3.930 -0.214 0.00 0.00 +0.045 A ATOM 13 CA LIG 1 -1.540 -4.446 -0.231 0.00 0.00 +0.149 A ATOM 14 N LIG 1 -0.391 -3.715 -0.172 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 3.214 -0.184 0.039 0.00 0.00 +0.051 A ATOM 16 C LIG 1 2.223 0.184 -0.872 0.00 0.00 +0.025 A ATOM 17 C LIG 1 1.021 -0.531 -0.929 0.00 0.00 +0.012 A ATOM 18 C LIG 1 0.772 -1.604 -0.056 0.00 0.00 +0.003 A ATOM 19 C LIG 1 1.774 -1.945 0.869 0.00 0.00 +0.012 A ATOM 20 C LIG 1 2.976 -1.234 0.926 0.00 0.00 +0.025 A BRANCH 15 22 ATOM 21 C LIG 1 4.289 1.798 0.996 0.00 0.00 +0.157 C ATOM 22 N LIG 1 4.438 0.559 0.196 0.00 0.00 -0.206 N BRANCH 22 23 ATOM 23 S LIG 1 5.350 0.736 -1.251 0.00 0.00 +0.074 S ATOM 24 O LIG 1 4.847 1.902 -1.952 0.00 0.00 -0.150 OA ATOM 25 O LIG 1 5.453 -0.548 -1.912 0.00 0.00 -0.150 OA BRANCH 23 26 ATOM 26 C LIG 1 6.970 1.124 -0.629 0.00 0.00 +0.109 A ATOM 27 C LIG 1 7.673 0.143 0.078 0.00 0.00 +0.029 A ATOM 28 C LIG 1 8.945 0.434 0.570 0.00 0.00 +0.002 A ATOM 29 C LIG 1 9.507 1.694 0.351 0.00 0.00 +0.000 A ATOM 30 C LIG 1 8.803 2.665 -0.364 0.00 0.00 +0.002 A ATOM 31 C LIG 1 7.531 2.383 -0.861 0.00 0.00 +0.029 A ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 15 22 ENDBRANCH 1 18 BRANCH 9 32 ATOM 32 C LIG 1 -6.594 1.822 0.190 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -7.569 1.921 1.196 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -8.406 3.036 1.280 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.282 4.072 0.358 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.323 3.993 -0.649 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.486 2.877 -0.731 0.00 0.00 +0.008 A ENDBRANCH 9 32 BRANCH 13 38 ATOM 38 C LIG 1 -1.336 -5.921 -0.319 0.00 0.00 +0.355 C ATOM 39 O LIG 1 -2.225 -6.753 -0.351 0.00 0.00 -0.243 OA BRANCH 38 40 ATOM 40 OXT LIG 1 -0.011 -6.211 -0.357 0.00 0.00 -0.476 OA ATOM 41 HXT LIG 1 0.495 -5.363 -0.330 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 13 38 TORSDOF 7