REMARK Name = BDB006355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.289 0.265 -1.189 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.153 0.033 0.189 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.067 0.606 0.884 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.655 0.574 2.243 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.492 1.324 2.351 0.00 0.00 +0.087 A ATOM 6 N LIG 1 0.809 1.799 1.100 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.139 1.383 0.183 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.257 1.608 -1.198 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.341 1.033 -1.869 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -4.590 -0.534 -1.276 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -4.697 -0.127 -0.358 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -3.418 -0.313 -1.969 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -3.292 -0.534 -3.168 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 -5.681 -2.512 -2.276 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -5.786 -1.020 -1.945 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 -7.008 -0.710 -1.091 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -7.240 -1.370 0.128 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -8.358 -1.060 0.908 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -9.252 -0.076 0.472 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -9.032 0.600 -0.734 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -7.912 0.283 -1.507 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -10.426 0.255 1.288 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -11.203 1.119 0.859 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -10.571 -0.349 2.361 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 1.958 2.655 0.823 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.247 1.873 0.784 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.533 1.011 -0.282 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.731 0.290 -0.314 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.675 0.406 0.718 0.00 0.00 -0.018 A ATOM 30 C LIG 1 5.380 1.270 1.783 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.184 1.994 1.818 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.935 -0.356 0.683 0.00 0.00 -0.017 A ATOM 33 C LIG 1 7.786 -0.295 -0.433 0.00 0.00 +0.023 A ATOM 34 C LIG 1 8.987 -1.020 -0.469 0.00 0.00 +0.059 A ATOM 35 C LIG 1 9.349 -1.817 0.621 0.00 0.00 +0.015 A ATOM 36 C LIG 1 8.516 -1.889 1.736 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.322 -1.165 1.765 0.00 0.00 +0.008 A BRANCH 34 38 ATOM 38 C LIG 1 9.836 -0.909 -1.679 0.00 0.00 +0.337 C ATOM 39 O LIG 1 9.586 -0.245 -2.668 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 10.964 -1.636 -1.595 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 11.415 -1.468 -2.449 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9