REMARK Name = BDB057859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.818 0.017 0.552 0.00 0.00 +0.164 A ATOM 2 N LIG 1 -4.293 0.556 1.687 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -3.405 1.102 2.522 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.031 1.132 2.255 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.155 1.751 3.183 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -1.641 2.313 4.361 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.002 2.268 4.624 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.636 0.532 1.046 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -3.867 1.668 3.704 0.00 0.00 +0.028 A ATOM 10 N LIG 1 -2.527 0.007 0.190 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 13 ATOM 11 CL LIG 1 -3.321 -2.845 -0.719 0.00 0.00 -0.083 Cl ATOM 12 C LIG 1 -4.653 -1.780 -1.029 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.801 -0.536 -0.388 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -5.967 0.208 -0.677 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -6.931 -0.255 -1.576 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.756 -1.481 -2.208 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.622 -2.243 -1.932 0.00 0.00 +0.021 A ENDBRANCH 1 13 BRANCH 8 18 ATOM 18 N LIG 1 -0.268 0.508 0.699 0.00 0.00 -0.324 N ATOM 19 H LIG 1 0.259 0.099 1.466 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 0.029 -0.181 -0.553 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 1.527 -0.190 -0.757 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.208 0.998 -1.052 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.595 0.998 -1.231 0.00 0.00 +0.009 A ATOM 24 C LIG 1 4.341 -0.186 -1.117 0.00 0.00 -0.016 A ATOM 25 C LIG 1 3.650 -1.371 -0.816 0.00 0.00 +0.009 A ATOM 26 C LIG 1 2.262 -1.375 -0.636 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 5.799 -0.186 -1.303 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.631 0.700 -0.616 0.00 0.00 +0.119 A ATOM 29 N LIG 1 7.981 0.755 -0.742 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 8.542 -0.121 -1.599 0.00 0.00 +0.111 A ATOM 31 C LIG 1 7.819 -1.046 -2.333 0.00 0.00 +0.020 A ATOM 32 C LIG 1 6.434 -1.075 -2.180 0.00 0.00 +0.011 A ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 8 18 TORSDOF 5