REMARK Name = BDB021192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.126 0.215 -2.260 0.00 0.00 +0.202 A ATOM 2 N LIG 1 -1.635 1.487 -1.910 0.00 0.00 -0.270 N ATOM 3 C LIG 1 -0.403 1.670 -1.311 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -0.179 2.945 -1.050 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 -1.274 3.610 -1.540 0.00 0.00 +0.159 A ATOM 6 C LIG 1 0.379 0.503 -1.091 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.145 -0.671 -1.501 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -2.176 2.736 -2.102 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -1.380 -0.845 -2.091 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.708 0.488 -0.448 0.00 0.00 -0.010 A ATOM 11 C LIG 1 1.864 0.610 0.948 0.00 0.00 -0.042 A ATOM 12 C LIG 1 0.685 0.793 1.865 0.00 0.00 +0.044 C ATOM 13 C LIG 1 3.159 0.591 1.497 0.00 0.00 +0.009 A ATOM 14 C LIG 1 4.293 0.436 0.685 0.00 0.00 -0.033 A ATOM 15 C LIG 1 4.122 0.312 -0.698 0.00 0.00 +0.005 A ATOM 16 C LIG 1 2.845 0.338 -1.259 0.00 0.00 +0.009 A BRANCH 14 17 ATOM 17 C LIG 1 5.682 0.432 1.290 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 6.446 -0.794 0.996 0.00 0.00 -0.304 NA ATOM 19 C LIG 1 7.845 -0.616 1.389 0.00 0.00 +0.104 C ATOM 20 C LIG 1 5.879 -1.955 1.686 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 6 10 BRANCH 1 21 ATOM 21 N LIG 1 -3.385 0.039 -2.796 0.00 0.00 -0.310 N ATOM 22 H LIG 1 -3.455 -0.938 -3.072 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.595 0.423 -2.073 0.00 0.00 +0.143 C BRANCH 23 32 ATOM 24 C LIG 1 -4.957 -3.607 0.030 0.00 0.00 +0.234 C ATOM 25 C LIG 1 -4.611 -2.592 -1.059 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -4.614 -1.351 -0.247 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -4.571 -1.705 1.098 0.00 0.00 +0.124 A ATOM 28 C LIG 1 -4.492 -0.767 2.107 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -4.471 0.577 1.743 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -4.519 0.939 0.391 0.00 0.00 +0.129 A ATOM 31 F LIG 1 -4.492 2.243 0.080 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -4.582 -0.015 -0.636 0.00 0.00 +0.012 A ATOM 33 O LIG 1 -4.595 -3.058 1.317 0.00 0.00 -0.491 OA ENDBRANCH 23 32 ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 5 34 ATOM 34 C LIG 1 -1.388 5.035 -1.460 0.00 0.00 +0.121 C ATOM 35 N LIG 1 -1.515 6.189 -1.414 0.00 0.00 -0.189 NA ENDBRANCH 5 34 TORSDOF 7