REMARK Name = BDB022431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.571 2.637 -0.347 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -0.534 2.078 0.321 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.801 2.689 0.295 0.00 0.00 -0.035 A ATOM 4 C LIG 1 -1.953 3.880 -0.426 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.870 4.450 -1.093 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.382 3.836 -1.050 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 4.332 0.674 -0.271 0.00 0.00 +0.125 A ATOM 8 N LIG 1 3.244 -0.008 -0.685 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 2.061 0.657 -0.700 0.00 0.00 +0.121 A ATOM 10 C LIG 1 1.885 1.983 -0.312 0.00 0.00 +0.000 A ATOM 11 C LIG 1 3.035 2.654 0.113 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.269 1.998 0.136 0.00 0.00 +0.044 A BRANCH 7 14 ATOM 13 C LIG 1 6.771 0.302 0.031 0.00 0.00 +0.242 C ATOM 14 N LIG 1 5.500 -0.087 -0.291 0.00 0.00 -0.267 N ATOM 15 H LIG 1 5.337 -1.019 -0.643 0.00 0.00 +0.157 HD ATOM 16 O LIG 1 7.143 1.421 0.360 0.00 0.00 -0.270 OA BRANCH 13 18 ATOM 17 C LIG 1 7.571 -2.065 0.218 0.00 0.00 +0.006 C ATOM 18 C LIG 1 7.786 -0.778 -0.105 0.00 0.00 +0.065 C BRANCH 17 19 ATOM 19 C LIG 1 8.586 -3.167 0.129 0.00 0.00 +0.187 C BRANCH 19 21 ATOM 20 C LIG 1 10.787 -3.709 -0.506 0.00 0.00 +0.194 C ATOM 21 O LIG 1 9.803 -2.686 -0.430 0.00 0.00 -0.379 OA ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 13 18 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 22 ATOM 22 C LIG 1 -2.963 2.058 1.050 0.00 0.00 +0.102 C ATOM 23 C LIG 1 -3.554 3.016 2.090 0.00 0.00 +0.022 C BRANCH 22 24 ATOM 24 C LIG 1 -4.086 1.524 0.142 0.00 0.00 +0.225 C ATOM 25 N LIG 1 -4.815 0.524 0.773 0.00 0.00 -0.268 N ATOM 26 H LIG 1 -4.551 0.236 1.702 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 -4.292 1.980 -0.977 0.00 0.00 -0.275 OA BRANCH 25 28 ATOM 28 C LIG 1 -5.897 -0.140 0.233 0.00 0.00 +0.147 A ATOM 29 N LIG 1 -6.419 0.077 -0.974 0.00 0.00 -0.158 NA ATOM 30 N LIG 1 -7.440 -0.785 -1.066 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -7.991 -0.792 -1.917 0.00 0.00 +0.189 HD ATOM 32 C LIG 1 -7.590 -1.555 0.046 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -6.607 -1.159 0.918 0.00 0.00 +0.068 A BRANCH 32 34 ATOM 34 C LIG 1 -8.669 -2.631 0.280 0.00 0.00 +0.037 C ATOM 35 C LIG 1 -8.815 -3.745 -0.722 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -8.242 -4.030 0.635 0.00 0.00 +0.010 C ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 9