REMARK Name = BDB059908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.127 -0.378 -0.067 0.00 0.00 +0.202 A ATOM 2 N LIG 1 -0.658 -0.100 1.072 0.00 0.00 -0.270 N ATOM 3 C LIG 1 -2.013 0.162 1.020 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.415 0.367 2.332 0.00 0.00 +0.170 A ATOM 5 N LIG 1 -1.308 0.250 3.172 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.606 0.156 -0.272 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -1.789 -0.101 -1.316 0.00 0.00 +0.125 A ATOM 8 C LIG 1 -0.287 -0.013 2.388 0.00 0.00 +0.207 A ATOM 9 N LIG 1 -0.437 -0.368 -1.246 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.024 0.415 -0.567 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -4.934 -0.646 -0.646 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -6.279 -0.399 -0.929 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.719 0.907 -1.137 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -5.818 1.968 -1.063 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.473 1.724 -0.780 0.00 0.00 +0.008 A ENDBRANCH 6 10 BRANCH 4 16 ATOM 16 C LIG 1 -3.784 0.677 2.867 0.00 0.00 +0.436 C ATOM 17 F LIG 1 -3.808 0.780 4.224 0.00 0.00 -0.164 F ATOM 18 F LIG 1 -4.264 1.855 2.387 0.00 0.00 -0.164 F ATOM 19 F LIG 1 -4.689 -0.284 2.542 0.00 0.00 -0.164 F ENDBRANCH 4 16 BRANCH 1 20 ATOM 20 N LIG 1 1.471 -0.647 0.096 0.00 0.00 -0.310 N ATOM 21 H LIG 1 1.756 -1.040 0.986 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 2.266 -1.151 -1.012 0.00 0.00 +0.143 C BRANCH 22 25 ATOM 23 F LIG 1 3.745 -3.429 -0.193 0.00 0.00 -0.205 F ATOM 24 C LIG 1 4.401 -2.260 -0.246 0.00 0.00 +0.129 A ATOM 25 C LIG 1 3.719 -1.102 -0.640 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.447 0.084 -0.645 0.00 0.00 +0.005 A ATOM 27 C LIG 1 4.042 1.452 -1.052 0.00 0.00 +0.080 C ATOM 28 C LIG 1 5.237 2.236 -0.511 0.00 0.00 +0.234 C ATOM 29 O LIG 1 6.367 1.342 -0.376 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 5.792 0.101 -0.299 0.00 0.00 +0.124 A ATOM 31 C LIG 1 6.473 -1.043 0.068 0.00 0.00 +0.049 A ATOM 32 C LIG 1 5.759 -2.240 0.100 0.00 0.00 +0.042 A ENDBRANCH 22 25 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5