REMARK Name = BDB007710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.244 -1.562 -0.915 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.288 -0.341 -0.996 0.00 0.00 +0.244 C ATOM 3 N LIG 1 0.798 0.438 -1.351 0.00 0.00 -0.309 N ATOM 4 H LIG 1 0.778 1.408 -1.061 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.542 0.387 -0.671 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -2.441 -0.206 0.216 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -3.621 0.455 0.528 0.00 0.00 +0.119 A ATOM 8 N LIG 1 -3.910 1.663 0.002 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 -3.036 2.211 -0.870 0.00 0.00 +0.113 A ATOM 10 C LIG 1 -1.847 1.619 -1.242 0.00 0.00 +0.033 A BRANCH 7 11 ATOM 11 N LIG 1 -4.484 -0.140 1.461 0.00 0.00 -0.327 N ATOM 12 H LIG 1 -4.655 -1.109 1.188 0.00 0.00 +0.148 HD BRANCH 11 13 ATOM 13 C LIG 1 -5.770 0.542 1.665 0.00 0.00 +0.135 C BRANCH 13 14 ATOM 14 C LIG 1 -6.766 0.223 0.530 0.00 0.00 +0.149 C ATOM 15 O LIG 1 -6.974 -1.212 0.496 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -8.328 -1.600 0.753 0.00 0.00 +0.175 C ATOM 17 C LIG 1 -8.912 -0.848 1.955 0.00 0.00 +0.109 C ATOM 18 N LIG 1 -8.957 0.613 1.770 0.00 0.00 -0.311 NA ATOM 19 H LIG 1 -8.683 1.066 2.642 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -8.072 1.037 0.674 0.00 0.00 +0.114 C ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 2 5 BRANCH 3 21 ATOM 21 C LIG 1 2.116 -0.178 -1.491 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 3.055 0.724 -2.299 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.397 1.107 -3.523 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 1.452 0.892 -3.415 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 4.403 0.066 -2.673 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 5.357 -0.345 -1.638 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 5.631 0.685 -0.631 0.00 0.00 +0.120 C ATOM 28 C LIG 1 6.641 0.253 0.413 0.00 0.00 -0.030 A ATOM 29 C LIG 1 6.943 -1.106 0.611 0.00 0.00 -0.042 A ATOM 30 C LIG 1 7.859 -1.480 1.603 0.00 0.00 +0.004 A ATOM 31 C LIG 1 8.452 -0.512 2.413 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.141 0.834 2.234 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.335 -2.152 -0.290 0.00 0.00 +0.051 C ATOM 34 C LIG 1 7.239 1.216 1.241 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.085 -1.643 -1.023 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 9