REMARK Name = BDB002957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.119 3.696 0.240 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -1.106 2.768 0.484 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.260 1.506 -0.054 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -0.376 0.313 -0.009 0.00 0.00 +0.100 C ATOM 5 C LIG 1 -1.059 -0.732 -0.795 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -2.272 -0.220 -1.260 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.094 -1.029 -2.026 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -2.671 -2.341 -2.302 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -1.438 -2.836 -1.821 0.00 0.00 +0.122 A ATOM 10 C LIG 1 -0.614 -2.013 -1.054 0.00 0.00 +0.056 A ATOM 11 N LIG 1 0.763 0.063 0.551 0.00 0.00 -0.156 NA ATOM 12 C LIG 1 -2.400 1.150 -0.811 0.00 0.00 -0.008 A ATOM 13 C LIG 1 -3.416 2.070 -1.030 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -3.272 3.353 -0.493 0.00 0.00 +0.046 A ENDROOT BRANCH 11 15 ATOM 15 N LIG 1 1.328 1.046 1.268 0.00 0.00 -0.074 NA ATOM 16 C LIG 1 2.531 0.746 1.798 0.00 0.00 +0.303 C ATOM 17 O LIG 1 3.430 1.579 1.952 0.00 0.00 -0.265 OA BRANCH 16 18 ATOM 18 C LIG 1 2.779 -0.656 2.326 0.00 0.00 +0.129 A ATOM 19 N LIG 1 4.086 -1.057 2.383 0.00 0.00 -0.250 NA ATOM 20 C LIG 1 4.335 -2.283 2.884 0.00 0.00 +0.111 A ATOM 21 C LIG 1 3.357 -3.147 3.352 0.00 0.00 +0.020 A ATOM 22 C LIG 1 2.035 -2.723 3.314 0.00 0.00 +0.004 A ATOM 23 C LIG 1 1.742 -1.458 2.806 0.00 0.00 +0.033 A ENDBRANCH 16 18 ENDBRANCH 11 15 BRANCH 1 24 ATOM 24 O LIG 1 -2.003 4.959 0.763 0.00 0.00 -0.475 OA BRANCH 24 25 ATOM 25 C LIG 1 -1.511 5.784 -0.162 0.00 0.00 +0.223 C BRANCH 25 26 ATOM 26 C LIG 1 -0.945 6.715 -1.254 0.00 0.00 +0.120 C BRANCH 26 27 ATOM 27 N LIG 1 -0.423 7.583 -2.309 0.00 0.00 -0.270 NA BRANCH 27 29 ATOM 28 C LIG 1 -1.023 6.260 -4.936 0.00 0.00 +0.019 C ATOM 29 C LIG 1 -0.707 6.923 -3.580 0.00 0.00 +0.072 C ENDBRANCH 27 29 BRANCH 27 30 ATOM 30 C LIG 1 -1.229 8.799 -2.296 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -2.069 10.092 -2.291 0.00 0.00 +0.019 C ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 BRANCH 9 32 ATOM 32 O LIG 1 -1.146 -4.137 -2.172 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 0.002 -4.599 -1.682 0.00 0.00 +0.223 C BRANCH 33 34 ATOM 34 C LIG 1 1.315 -5.097 -1.038 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 N LIG 1 2.526 -5.551 -0.355 0.00 0.00 -0.270 NA BRANCH 35 36 ATOM 36 C LIG 1 2.093 -6.163 0.896 0.00 0.00 +0.072 C ATOM 37 C LIG 1 1.621 -6.835 2.204 0.00 0.00 +0.019 C ENDBRANCH 35 36 BRANCH 35 38 ATOM 38 C LIG 1 3.104 -6.620 -1.159 0.00 0.00 +0.072 C ATOM 39 C LIG 1 3.713 -7.747 -2.015 0.00 0.00 +0.019 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 9 32 TORSDOF 14