REMARK Name = BDB009938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.776 -0.226 0.470 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.884 0.740 0.921 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -1.116 1.395 2.116 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.119 2.278 2.401 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 0.733 2.201 1.396 0.00 0.00 +0.147 A ATOM 6 N LIG 1 -2.184 1.183 2.897 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -3.017 0.267 2.387 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.273 1.318 0.439 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.862 -0.433 1.237 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.053 3.033 1.407 0.00 0.00 +0.055 A ATOM 11 C LIG 1 2.372 3.921 2.410 0.00 0.00 +0.119 A ATOM 12 N LIG 1 3.585 4.444 2.084 0.00 0.00 -0.274 N ATOM 13 C LIG 1 4.337 5.426 2.826 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.088 3.948 0.937 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 3.152 3.083 0.532 0.00 0.00 +0.145 A ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 -1.553 -0.956 -0.695 0.00 0.00 -0.324 N ATOM 17 H LIG 1 -0.602 -1.312 -0.689 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 -1.800 -3.094 -1.826 0.00 0.00 +0.028 C ATOM 19 C LIG 1 -2.530 -1.987 -1.054 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 -3.580 -1.365 -1.941 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -4.885 -2.080 -2.204 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.871 -0.833 -1.367 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 23 ATOM 23 C LIG 1 -4.255 -0.015 3.198 0.00 0.00 +0.375 C ATOM 24 O LIG 1 -4.576 0.505 4.255 0.00 0.00 -0.242 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.058 -0.957 2.647 0.00 0.00 -0.475 OA ATOM 26 H LIG 1 -5.803 -1.023 3.279 0.00 0.00 +0.296 HD ENDBRANCH 23 25 ENDBRANCH 7 23 BRANCH 8 27 ATOM 27 C LIG 1 0.795 1.145 -0.907 0.00 0.00 +0.159 C BRANCH 27 28 ATOM 28 C LIG 1 1.651 -0.090 -1.080 0.00 0.00 -0.028 A ATOM 29 C LIG 1 1.633 -0.752 -2.319 0.00 0.00 +0.006 A ATOM 30 C LIG 1 2.414 -1.889 -2.537 0.00 0.00 +0.013 A ATOM 31 C LIG 1 3.250 -2.383 -1.528 0.00 0.00 +0.055 A ATOM 32 C LIG 1 3.279 -1.720 -0.293 0.00 0.00 +0.013 A ATOM 33 C LIG 1 2.496 -0.582 -0.075 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 4.077 -3.626 -1.756 0.00 0.00 +0.417 C ATOM 35 F LIG 1 5.199 -3.675 -0.986 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.381 -4.763 -1.479 0.00 0.00 -0.166 F ATOM 37 F LIG 1 4.503 -3.752 -3.043 0.00 0.00 -0.166 F ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9