REMARK Name = BDB048101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.484 1.321 -0.977 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -1.735 0.751 -1.078 0.00 0.00 -0.279 N ATOM 3 H LIG 1 -1.995 0.033 -0.410 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.039 2.087 -1.777 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 10 ATOM 5 C LIG 1 2.477 0.407 1.208 0.00 0.00 -0.014 A ATOM 6 C LIG 1 1.847 0.167 2.450 0.00 0.00 -0.043 A ATOM 7 C LIG 1 2.635 -0.236 3.670 0.00 0.00 +0.044 C ATOM 8 C LIG 1 0.453 0.301 2.559 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -0.320 0.676 1.458 0.00 0.00 +0.013 A ATOM 10 C LIG 1 0.295 0.911 0.226 0.00 0.00 +0.038 A ATOM 11 C LIG 1 1.685 0.788 0.109 0.00 0.00 +0.021 A BRANCH 5 17 ATOM 12 C LIG 1 8.818 0.985 0.424 0.00 0.00 +0.215 A ATOM 13 N LIG 1 8.061 -0.119 0.489 0.00 0.00 -0.215 NA ATOM 14 C LIG 1 6.740 0.030 0.658 0.00 0.00 +0.076 A ATOM 15 C LIG 1 6.137 1.283 0.760 0.00 0.00 +0.019 A ATOM 16 C LIG 1 4.745 1.414 0.940 0.00 0.00 +0.020 A ATOM 17 C LIG 1 3.929 0.279 1.024 0.00 0.00 -0.017 A ATOM 18 C LIG 1 4.536 -0.977 0.914 0.00 0.00 +0.010 A ATOM 19 C LIG 1 7.007 2.355 0.671 0.00 0.00 +0.124 A ATOM 20 C LIG 1 5.921 -1.088 0.737 0.00 0.00 +0.029 A ATOM 21 N LIG 1 8.337 2.231 0.502 0.00 0.00 -0.222 NA BRANCH 12 23 ATOM 22 C LIG 1 10.617 -0.215 -0.569 0.00 0.00 +0.128 C ATOM 23 N LIG 1 10.193 0.889 0.261 0.00 0.00 -0.317 N ATOM 24 H LIG 1 10.495 1.806 -0.049 0.00 0.00 +0.149 HD ENDBRANCH 12 23 ENDBRANCH 5 17 ENDBRANCH 1 10 BRANCH 2 25 ATOM 25 C LIG 1 -2.714 0.960 -2.075 0.00 0.00 +0.076 A ATOM 26 C LIG 1 -3.888 0.180 -1.984 0.00 0.00 +0.142 A ATOM 27 C LIG 1 -4.895 0.338 -2.936 0.00 0.00 +0.048 A ATOM 28 C LIG 1 -4.743 1.264 -3.973 0.00 0.00 +0.016 A ATOM 29 C LIG 1 -3.587 2.051 -4.068 0.00 0.00 +0.057 A ATOM 30 C LIG 1 -2.573 1.886 -3.112 0.00 0.00 +0.039 A BRANCH 29 31 ATOM 31 C LIG 1 -3.410 3.041 -5.193 0.00 0.00 +0.417 C ATOM 32 F LIG 1 -2.900 4.233 -4.778 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.570 2.584 -6.161 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -4.579 3.343 -5.828 0.00 0.00 -0.166 F ENDBRANCH 29 31 BRANCH 26 35 ATOM 35 O LIG 1 -3.923 -0.690 -0.921 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 -5.048 -1.567 -0.751 0.00 0.00 +0.176 C ATOM 37 C LIG 1 -6.166 -0.822 -0.009 0.00 0.00 +0.060 C ATOM 38 C LIG 1 -7.013 -1.778 0.823 0.00 0.00 +0.087 C ATOM 39 N LIG 1 -6.242 -2.515 1.831 0.00 0.00 -0.305 NA ATOM 40 C LIG 1 -6.462 -1.997 3.179 0.00 0.00 +0.104 C ATOM 41 C LIG 1 -4.806 -2.606 1.537 0.00 0.00 +0.087 C ATOM 42 C LIG 1 -4.553 -2.786 0.043 0.00 0.00 +0.060 C ENDBRANCH 35 36 ENDBRANCH 26 35 ENDBRANCH 2 25 TORSDOF 7