REMARK Name = BDB037532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.275 -2.398 0.335 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.817 -1.510 0.429 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.669 -0.137 0.570 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.962 0.432 0.475 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.870 -0.536 0.300 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.645 0.541 0.745 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.691 -0.484 1.205 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.186 -1.706 0.382 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.564 -1.825 0.451 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.585 -2.386 0.031 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.318 1.860 0.594 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.317 2.391 -0.227 0.00 0.00 -0.278 N ATOM 13 C LIG 1 -3.929 3.660 0.207 0.00 0.00 +0.193 C ATOM 14 C LIG 1 -4.488 4.471 -0.990 0.00 0.00 +0.118 C ATOM 15 N LIG 1 -5.316 3.689 -1.929 0.00 0.00 -0.312 NA ATOM 16 H LIG 1 -5.569 4.272 -2.727 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 -4.560 2.520 -2.397 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -4.051 1.631 -1.247 0.00 0.00 +0.124 C ATOM 19 O LIG 1 -1.726 2.579 1.402 0.00 0.00 -0.268 OA BRANCH 13 20 ATOM 20 C LIG 1 -4.989 3.436 1.222 0.00 0.00 +0.086 C ATOM 21 N LIG 1 -5.812 3.268 2.025 0.00 0.00 -0.195 NA ENDBRANCH 13 20 ENDBRANCH 4 11 BRANCH 6 22 ATOM 22 C LIG 1 0.934 1.252 -0.576 0.00 0.00 -0.037 A ATOM 23 C LIG 1 1.062 2.656 -0.566 0.00 0.00 +0.007 A ATOM 24 C LIG 1 1.332 3.362 -1.739 0.00 0.00 +0.038 A ATOM 25 C LIG 1 1.482 2.671 -2.932 0.00 0.00 +0.123 A ATOM 26 F LIG 1 1.737 3.347 -4.060 0.00 0.00 -0.205 F ATOM 27 C LIG 1 1.369 1.288 -2.974 0.00 0.00 +0.038 A ATOM 28 C LIG 1 1.097 0.579 -1.801 0.00 0.00 +0.007 A ENDBRANCH 6 22 BRANCH 8 29 ATOM 29 C LIG 1 -3.048 -2.879 0.509 0.00 0.00 +0.114 C ATOM 30 C LIG 1 -3.377 -3.528 -0.841 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -4.220 -4.777 -0.645 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -3.614 -5.641 0.313 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -3.591 -5.061 1.616 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -2.673 -3.850 1.629 0.00 0.00 +0.055 C ENDBRANCH 8 29 BRANCH 7 35 ATOM 35 N LIG 1 3.074 -0.012 1.092 0.00 0.00 -0.299 N ATOM 36 H LIG 1 3.706 -0.616 0.574 0.00 0.00 +0.150 HD ATOM 37 C LIG 1 3.562 0.998 1.883 0.00 0.00 +0.245 C ATOM 38 O LIG 1 2.880 1.574 2.722 0.00 0.00 -0.270 OA BRANCH 37 39 ATOM 39 C LIG 1 4.992 1.360 1.691 0.00 0.00 +0.037 A ATOM 40 C LIG 1 5.642 1.185 0.461 0.00 0.00 +0.025 A ATOM 41 C LIG 1 6.993 1.544 0.311 0.00 0.00 +0.056 A ATOM 42 C LIG 1 7.675 2.100 1.405 0.00 0.00 +0.012 A ATOM 43 C LIG 1 7.025 2.290 2.626 0.00 0.00 +0.001 A ATOM 44 C LIG 1 5.686 1.925 2.767 0.00 0.00 +0.013 A BRANCH 41 45 ATOM 45 C LIG 1 7.686 1.379 -1.020 0.00 0.00 +0.417 C ATOM 46 F LIG 1 7.187 0.346 -1.754 0.00 0.00 -0.166 F ATOM 47 F LIG 1 9.022 1.139 -0.900 0.00 0.00 -0.166 F ATOM 48 F LIG 1 7.572 2.486 -1.804 0.00 0.00 -0.166 F ENDBRANCH 41 45 ENDBRANCH 37 39 ENDBRANCH 7 35 BRANCH 1 50 ATOM 49 C LIG 1 0.893 -4.797 0.681 0.00 0.00 +0.025 C ATOM 50 C LIG 1 0.250 -3.748 -0.225 0.00 0.00 +0.112 C ENDBRANCH 1 50 TORSDOF 8