REMARK Name = BDB037551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.509 1.775 -1.100 0.00 0.00 -0.255 N ATOM 2 C LIG 1 0.161 1.423 -0.937 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.285 0.130 -0.723 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.706 0.201 -0.574 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.087 1.484 -0.664 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.641 -1.040 -0.712 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.892 -0.694 -1.542 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -0.975 2.198 -0.924 0.00 0.00 -0.246 N ATOM 9 C LIG 1 2.438 0.723 -1.244 0.00 0.00 +0.242 C ATOM 10 O LIG 1 3.662 0.914 -1.213 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.898 -1.391 0.754 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.568 -0.544 1.656 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.810 -0.946 2.973 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.382 -2.195 3.401 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.613 -2.575 4.664 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.716 -3.052 2.538 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.478 -2.653 1.222 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -1.163 3.615 -1.213 0.00 0.00 +0.114 C ATOM 19 C LIG 1 -1.401 4.422 0.068 0.00 0.00 +0.055 C ATOM 20 C LIG 1 -1.610 5.889 -0.274 0.00 0.00 +0.162 C ATOM 21 O LIG 1 -2.685 6.043 -1.197 0.00 0.00 -0.380 OA ATOM 22 C LIG 1 -2.449 5.380 -2.437 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -2.294 3.882 -2.221 0.00 0.00 +0.055 C ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.987 -1.658 -1.397 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.891 -1.266 -1.151 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.897 -2.932 -1.903 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.904 -3.344 -2.491 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.092 -3.804 -1.732 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.006 -3.616 -0.685 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.123 -4.461 -0.554 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.295 -5.510 -1.470 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.376 -5.710 -2.502 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.277 -4.862 -2.630 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.100 -4.273 0.582 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.138 -2.993 1.046 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.803 -5.054 1.656 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.382 -4.580 0.237 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.633 -0.950 -0.387 0.00 0.00 +0.268 C ATOM 39 N LIG 1 -4.005 -0.786 -0.116 0.00 0.00 -0.283 N ATOM 40 O LIG 1 -2.189 -2.097 -0.499 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.756 0.466 -0.018 0.00 0.00 +0.110 C BRANCH 41 42 ATOM 42 C LIG 1 -5.104 0.905 1.411 0.00 0.00 +0.034 C BRANCH 42 43 ATOM 43 C LIG 1 -3.911 1.242 2.315 0.00 0.00 +0.085 C BRANCH 43 44 ATOM 44 N LIG 1 -3.103 0.082 2.720 0.00 0.00 -0.308 NA ATOM 45 C LIG 1 -1.824 0.529 3.278 0.00 0.00 +0.104 C ATOM 46 C LIG 1 -3.792 -0.762 3.697 0.00 0.00 +0.104 C ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 39 41 BRANCH 39 47 ATOM 47 C LIG 1 -4.773 -2.019 0.062 0.00 0.00 +0.227 C BRANCH 47 48 ATOM 48 C LIG 1 -5.360 -2.500 -1.204 0.00 0.00 +0.082 C ATOM 49 N LIG 1 -5.861 -2.864 -2.188 0.00 0.00 -0.195 NA ENDBRANCH 47 48 ENDBRANCH 39 47 ENDBRANCH 4 38 BRANCH 1 51 ATOM 50 C LIG 1 2.425 3.716 -2.332 0.00 0.00 +0.025 C ATOM 51 C LIG 1 2.074 3.115 -0.978 0.00 0.00 +0.112 C ENDBRANCH 1 51 TORSDOF 13