REMARK Name = BDB024713 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.567 -2.316 -1.184 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -5.034 -1.181 -0.546 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.936 -0.222 0.138 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.539 -0.836 1.416 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.286 1.112 0.538 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.329 1.583 -0.532 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.271 0.530 -0.681 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.911 0.864 -0.857 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.319 2.102 -0.899 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.031 1.891 -1.095 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.233 0.538 -1.150 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.963 -0.136 -1.023 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.299 -1.490 -1.030 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.652 -1.812 -0.865 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.644 -0.834 -0.697 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.939 -3.157 -1.818 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.527 -3.502 -1.725 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.929 -2.383 -1.069 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.528 -0.100 -1.313 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.076 -0.638 0.015 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.364 -1.326 -0.175 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 3.887 -1.796 1.142 0.00 0.00 +0.095 C ATOM 23 C LIG 1 5.223 -1.219 0.725 0.00 0.00 +0.035 C ATOM 24 C LIG 1 6.269 -2.184 0.206 0.00 0.00 +0.177 C ATOM 25 S LIG 1 7.127 -2.018 1.755 0.00 0.00 -0.030 S ATOM 26 O LIG 1 8.516 -1.665 1.562 0.00 0.00 -0.174 OA ATOM 27 O LIG 1 6.682 -3.000 2.721 0.00 0.00 -0.174 OA ATOM 28 C LIG 1 6.088 -0.574 1.778 0.00 0.00 +0.177 C ATOM 29 C LIG 1 4.487 -0.351 -0.259 0.00 0.00 +0.095 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.988 2.980 -1.257 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 1.950 3.134 -0.097 0.00 0.00 -0.040 A ATOM 32 C LIG 1 3.302 3.417 -0.344 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.196 3.601 0.714 0.00 0.00 +0.000 A ATOM 34 C LIG 1 3.747 3.512 2.030 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.403 3.254 2.289 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.507 3.078 1.233 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6