REMARK Name = BDB032334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.293 1.653 1.645 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -0.935 1.316 0.226 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -1.836 0.708 -0.659 0.00 0.00 +0.125 A ATOM 4 N LIG 1 -1.498 0.442 -1.942 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -0.243 0.740 -2.349 0.00 0.00 +0.118 A ATOM 6 C LIG 1 0.736 1.296 -1.540 0.00 0.00 -0.012 A ATOM 7 C LIG 1 0.362 1.597 -0.230 0.00 0.00 +0.013 A ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 -3.129 0.349 -0.218 0.00 0.00 -0.306 N ATOM 9 C LIG 1 -3.068 -0.978 0.450 0.00 0.00 +0.182 C ATOM 10 C LIG 1 -4.423 -1.556 0.706 0.00 0.00 +0.151 A ATOM 11 N LIG 1 -4.771 -2.595 1.432 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 -6.139 -2.733 1.337 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 -6.604 -1.775 0.552 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -5.543 -1.025 0.126 0.00 0.00 -0.305 N ATOM 15 C LIG 1 -5.523 0.141 -0.735 0.00 0.00 +0.144 C ATOM 16 C LIG 1 -4.120 0.373 -1.314 0.00 0.00 +0.128 C BRANCH 13 17 ATOM 17 C LIG 1 -8.005 -1.501 0.158 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -8.192 -1.699 -1.175 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.344 -0.204 0.395 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -8.915 -2.270 0.803 0.00 0.00 -0.163 F ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 6 21 ATOM 21 C LIG 1 2.096 1.608 -2.104 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 3.154 1.613 -1.097 0.00 0.00 -0.339 N ATOM 23 H LIG 1 3.869 2.299 -1.325 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 3.758 0.427 -0.629 0.00 0.00 +0.035 A ATOM 25 C LIG 1 4.871 0.510 0.270 0.00 0.00 +0.008 A ATOM 26 C LIG 1 5.484 -0.674 0.756 0.00 0.00 +0.023 A ATOM 27 C LIG 1 6.602 -0.545 1.620 0.00 0.00 +0.124 A ATOM 28 N LIG 1 7.098 0.638 2.016 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 6.487 1.747 1.571 0.00 0.00 +0.113 A ATOM 30 C LIG 1 4.949 -1.922 0.371 0.00 0.00 +0.012 A ATOM 31 C LIG 1 3.833 -2.003 -0.453 0.00 0.00 +0.003 A ATOM 32 C LIG 1 5.398 1.735 0.719 0.00 0.00 +0.030 A ATOM 33 C LIG 1 3.240 -0.841 -0.935 0.00 0.00 +0.023 A BRANCH 27 34 ATOM 34 N LIG 1 7.263 -1.673 2.136 0.00 0.00 -0.343 N ATOM 35 H LIG 1 6.608 -2.220 2.684 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 7.604 -2.241 1.368 0.00 0.00 +0.144 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 6