REMARK Name = BDB020761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.914 3.445 -0.394 0.00 0.00 +0.007 A ATOM 2 C LIG 1 -1.096 2.530 0.251 0.00 0.00 +0.055 A ATOM 3 N LIG 1 -1.863 1.417 0.621 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.343 0.312 1.355 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -0.025 0.345 1.710 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.803 1.461 1.234 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.675 -0.666 2.583 0.00 0.00 +0.046 C ATOM 8 C LIG 1 -3.142 1.637 0.139 0.00 0.00 +0.092 A ATOM 9 C LIG 1 0.293 2.503 0.556 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -3.203 2.868 -0.474 0.00 0.00 +0.028 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -0.569 6.925 -0.606 0.00 0.00 +0.042 A ATOM 12 N LIG 1 -0.641 7.189 -1.934 0.00 0.00 -0.260 NA ATOM 13 C LIG 1 -1.126 6.218 -2.738 0.00 0.00 +0.111 A ATOM 14 C LIG 1 -1.551 4.982 -2.284 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.467 4.722 -0.918 0.00 0.00 -0.013 A ATOM 16 C LIG 1 -0.974 5.709 -0.063 0.00 0.00 +0.032 A BRANCH 11 18 ATOM 17 C LIG 1 -1.142 9.044 0.594 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -0.053 8.028 0.279 0.00 0.00 +0.052 C ENDBRANCH 11 18 ENDBRANCH 1 15 BRANCH 6 19 ATOM 19 C LIG 1 2.288 1.454 1.367 0.00 0.00 +0.245 C ATOM 20 N LIG 1 2.877 0.603 0.462 0.00 0.00 -0.307 N ATOM 21 H LIG 1 2.283 0.063 -0.157 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.870 2.110 2.223 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 4.296 0.326 0.443 0.00 0.00 +0.149 C BRANCH 23 24 ATOM 24 C LIG 1 4.582 -1.135 0.230 0.00 0.00 +0.075 A ATOM 25 C LIG 1 5.992 -1.528 0.556 0.00 0.00 +0.257 A ATOM 26 O LIG 1 6.837 -0.701 0.889 0.00 0.00 -0.267 OA ATOM 27 N LIG 1 6.305 -2.861 0.461 0.00 0.00 -0.326 N ATOM 28 H LIG 1 7.255 -3.095 0.733 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 5.422 -3.846 0.099 0.00 0.00 +0.019 A ATOM 30 C LIG 1 5.924 -5.257 0.110 0.00 0.00 +0.063 C ATOM 31 C LIG 1 4.171 -3.500 -0.240 0.00 0.00 +0.067 A ATOM 32 C LIG 1 3.760 -2.110 -0.216 0.00 0.00 +0.132 A BRANCH 32 33 ATOM 33 O LIG 1 2.444 -1.871 -0.563 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 2.215 -2.041 -1.965 0.00 0.00 +0.277 C ENDBRANCH 32 33 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 6 19 BRANCH 4 35 ATOM 35 C LIG 1 -2.266 -0.865 1.719 0.00 0.00 +0.101 C ATOM 36 C LIG 1 -3.260 -0.402 2.805 0.00 0.00 +0.031 C BRANCH 35 37 ATOM 37 N LIG 1 -2.908 -1.514 0.546 0.00 0.00 -0.292 NA ATOM 38 C LIG 1 -1.905 -1.857 -0.497 0.00 0.00 +0.100 C ATOM 39 C LIG 1 -2.328 -3.033 -1.403 0.00 0.00 +0.100 C ATOM 40 N LIG 1 -2.440 -4.293 -0.643 0.00 0.00 -0.292 NA ATOM 41 C LIG 1 -3.005 -4.062 0.703 0.00 0.00 +0.100 C ATOM 42 C LIG 1 -3.723 -2.701 0.885 0.00 0.00 +0.100 C BRANCH 40 43 ATOM 43 C LIG 1 -3.191 -5.330 -1.397 0.00 0.00 +0.198 C BRANCH 43 44 ATOM 44 C LIG 1 -2.680 -5.735 -2.795 0.00 0.00 +0.402 C ATOM 45 F LIG 1 -3.420 -6.764 -3.284 0.00 0.00 -0.169 F ATOM 46 F LIG 1 -2.777 -4.717 -3.681 0.00 0.00 -0.169 F ATOM 47 F LIG 1 -1.390 -6.144 -2.765 0.00 0.00 -0.169 F ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 35 37 ENDBRANCH 4 35 TORSDOF 10