REMARK Name = BDB043784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.769 1.968 -1.131 0.00 0.00 -0.047 A ATOM 2 C LIG 1 2.030 0.796 -0.418 0.00 0.00 +0.004 A ATOM 3 C LIG 1 3.216 0.659 0.312 0.00 0.00 +0.010 A ATOM 4 C LIG 1 4.179 1.683 0.358 0.00 0.00 +0.000 A ATOM 5 C LIG 1 3.888 2.865 -0.345 0.00 0.00 +0.010 A ATOM 6 C LIG 1 2.703 3.007 -1.079 0.00 0.00 +0.004 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 5.435 1.505 1.120 0.00 0.00 +0.071 A ATOM 8 N LIG 1 5.367 0.669 2.189 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 6.495 0.464 2.910 0.00 0.00 +0.135 A ATOM 10 C LIG 1 7.718 1.055 2.624 0.00 0.00 +0.066 A ATOM 11 C LIG 1 7.784 1.900 1.526 0.00 0.00 +0.028 A ATOM 12 C LIG 1 6.634 2.129 0.766 0.00 0.00 +0.030 A BRANCH 10 13 ATOM 13 N LIG 1 8.880 0.752 3.390 0.00 0.00 -0.215 N ATOM 14 H LIG 1 8.757 0.517 4.374 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 10.099 -0.179 2.675 0.00 0.00 +0.072 S ATOM 16 O LIG 1 10.999 -0.551 3.748 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 10.580 0.497 1.489 0.00 0.00 -0.150 OA BRANCH 15 18 ATOM 18 C LIG 1 9.234 -1.648 2.170 0.00 0.00 +0.108 A ATOM 19 C LIG 1 8.802 -1.781 0.847 0.00 0.00 +0.029 A ATOM 20 C LIG 1 8.118 -2.935 0.464 0.00 0.00 +0.002 A ATOM 21 C LIG 1 7.881 -3.949 1.393 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.335 -3.820 2.707 0.00 0.00 +0.002 A ATOM 23 C LIG 1 9.018 -2.669 3.100 0.00 0.00 +0.029 A ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 C LIG 1 0.492 2.117 -1.918 0.00 0.00 +0.035 C BRANCH 24 25 ATOM 25 C LIG 1 -0.624 2.754 -1.082 0.00 0.00 +0.012 C BRANCH 25 26 ATOM 26 C LIG 1 -1.898 2.961 -1.900 0.00 0.00 +0.077 C BRANCH 26 32 ATOM 27 N LIG 1 -3.434 1.595 -3.316 0.00 0.00 -0.280 N ATOM 28 C LIG 1 -3.911 0.304 -3.321 0.00 0.00 +0.347 A ATOM 29 O LIG 1 -4.680 -0.196 -4.126 0.00 0.00 -0.245 OA ATOM 30 N LIG 1 -3.321 -0.306 -2.215 0.00 0.00 -0.209 N ATOM 31 N LIG 1 -2.515 0.586 -1.546 0.00 0.00 -0.153 NA ATOM 32 C LIG 1 -2.606 1.678 -2.252 0.00 0.00 +0.134 A BRANCH 27 34 ATOM 33 C LIG 1 -2.805 2.553 -5.488 0.00 0.00 +0.027 C ATOM 34 C LIG 1 -3.775 2.587 -4.316 0.00 0.00 +0.125 C ENDBRANCH 27 34 BRANCH 30 35 ATOM 35 C LIG 1 -3.599 -1.638 -1.736 0.00 0.00 +0.184 C BRANCH 35 36 ATOM 36 C LIG 1 -4.792 -1.676 -0.814 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -4.655 -1.367 0.543 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -5.763 -1.392 1.399 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -7.044 -1.721 0.929 0.00 0.00 -0.042 A ATOM 40 C LIG 1 -7.168 -2.015 -0.443 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -6.064 -1.988 -1.301 0.00 0.00 +0.006 A BRANCH 39 42 ATOM 42 C LIG 1 -8.280 -1.770 1.844 0.00 0.00 -0.013 C ATOM 43 C LIG 1 -7.985 -1.391 3.313 0.00 0.00 +0.015 C ATOM 44 C LIG 1 -9.355 -0.789 1.329 0.00 0.00 +0.015 C ATOM 45 C LIG 1 -8.858 -3.201 1.847 0.00 0.00 +0.015 C ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 26 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 12