REMARK Name = BDB064715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.426 0.158 -0.541 0.00 0.00 -0.312 N ATOM 2 C LIG 1 -2.635 -0.302 -0.102 0.00 0.00 +0.165 A ATOM 3 C LIG 1 -3.497 0.772 -0.246 0.00 0.00 +0.147 A ATOM 4 C LIG 1 -4.832 0.563 0.141 0.00 0.00 +0.147 A ATOM 5 N LIG 1 -5.177 -0.646 0.639 0.00 0.00 -0.219 NA ATOM 6 C LIG 1 -4.227 -1.604 0.718 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -2.828 1.872 -0.746 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -2.925 -1.524 0.373 0.00 0.00 -0.216 NA ATOM 9 C LIG 1 -1.589 1.462 -0.923 0.00 0.00 +0.201 A ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 -5.812 1.543 0.055 0.00 0.00 -0.341 N ATOM 11 H LIG 1 -5.441 2.485 0.004 0.00 0.00 +0.144 HD ATOM 12 H LIG 1 -6.585 1.370 0.683 0.00 0.00 +0.144 HD ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 C LIG 1 -0.200 -0.602 -0.598 0.00 0.00 +0.165 C BRANCH 13 14 ATOM 14 C LIG 1 0.415 -0.823 0.781 0.00 0.00 +0.250 C BRANCH 14 15 ATOM 15 O LIG 1 1.680 -1.482 0.671 0.00 0.00 -0.489 OA BRANCH 15 19 ATOM 16 C LIG 1 5.188 0.600 0.147 0.00 0.00 +0.140 A ATOM 17 N LIG 1 4.052 1.335 0.233 0.00 0.00 -0.241 NA ATOM 18 C LIG 1 2.892 0.655 0.413 0.00 0.00 +0.157 A ATOM 19 C LIG 1 2.803 -0.728 0.505 0.00 0.00 +0.139 A ATOM 20 C LIG 1 3.992 -1.450 0.410 0.00 0.00 +0.050 A ATOM 21 C LIG 1 5.204 -0.785 0.231 0.00 0.00 +0.042 A BRANCH 16 23 ATOM 22 N LIG 1 7.414 1.898 -0.194 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 6.407 1.338 -0.040 0.00 0.00 +0.119 C ENDBRANCH 16 23 ENDBRANCH 15 19 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 6