REMARK Name = BDB042900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.393 1.150 2.879 0.00 0.00 +0.187 A ATOM 2 C LIG 1 -3.410 1.710 2.090 0.00 0.00 +0.280 A ATOM 3 N LIG 1 -4.715 1.659 2.464 0.00 0.00 -0.106 NA ATOM 4 N LIG 1 -5.025 1.057 3.630 0.00 0.00 -0.134 NA ATOM 5 C LIG 1 -4.021 0.543 4.368 0.00 0.00 +0.247 A ATOM 6 N LIG 1 -2.715 0.556 4.049 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 2.170 -0.726 0.096 0.00 0.00 -0.298 NA ATOM 8 C LIG 1 1.784 0.518 0.793 0.00 0.00 +0.094 C ATOM 9 C LIG 1 0.570 -0.193 1.422 0.00 0.00 +0.013 C ATOM 10 C LIG 1 -0.771 0.502 1.208 0.00 0.00 +0.116 C ATOM 11 N LIG 1 -1.045 1.194 2.490 0.00 0.00 -0.310 N ATOM 12 C LIG 1 -0.029 0.817 3.484 0.00 0.00 +0.107 C ATOM 13 C LIG 1 0.630 -0.440 2.926 0.00 0.00 +0.030 C ATOM 14 C LIG 1 0.915 -1.377 0.509 0.00 0.00 +0.094 C BRANCH 7 15 ATOM 15 C LIG 1 3.386 -1.346 0.664 0.00 0.00 +0.059 C BRANCH 15 16 ATOM 16 C LIG 1 3.716 -2.783 0.109 0.00 0.00 -0.000 C ATOM 17 C LIG 1 3.148 -3.091 -1.283 0.00 0.00 +0.009 C ATOM 18 C LIG 1 3.311 -3.894 1.087 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 4.626 -0.421 0.438 0.00 0.00 +0.020 C BRANCH 19 20 ATOM 20 C LIG 1 4.956 -0.096 -1.027 0.00 0.00 +0.017 C BRANCH 20 21 ATOM 21 C LIG 1 6.132 0.891 -1.113 0.00 0.00 +0.084 C BRANCH 21 22 ATOM 22 N LIG 1 6.426 1.314 -2.490 0.00 0.00 -0.306 NA ATOM 23 C LIG 1 6.994 0.237 -3.298 0.00 0.00 +0.104 C BRANCH 22 25 ATOM 24 C LIG 1 8.647 2.425 -1.916 0.00 0.00 +0.020 C ATOM 25 C LIG 1 7.255 2.529 -2.536 0.00 0.00 +0.081 C ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 O LIG 1 -3.055 2.386 0.931 0.00 0.00 -0.434 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.079 2.706 0.077 0.00 0.00 +0.143 A ATOM 28 C LIG 1 -4.537 1.801 -0.889 0.00 0.00 +0.082 A ATOM 29 C LIG 1 -5.524 2.191 -1.800 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -6.056 3.473 -1.715 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -7.005 3.846 -2.582 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.613 4.378 -0.754 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -4.612 3.999 0.139 0.00 0.00 +0.050 A BRANCH 28 34 ATOM 34 C LIG 1 -3.933 0.461 -1.027 0.00 0.00 +0.250 C ATOM 35 N LIG 1 -4.735 -0.674 -0.863 0.00 0.00 -0.295 N ATOM 36 O LIG 1 -2.743 0.408 -1.331 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -6.055 -0.665 -0.189 0.00 0.00 +0.070 C ATOM 38 C LIG 1 -7.167 -1.171 -1.107 0.00 0.00 +0.028 C ATOM 39 C LIG 1 -6.027 -1.448 1.130 0.00 0.00 +0.028 C ENDBRANCH 35 37 BRANCH 35 40 ATOM 40 C LIG 1 -4.152 -1.958 -1.266 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -4.151 -2.132 -2.778 0.00 0.00 +0.024 C ENDBRANCH 35 40 ENDBRANCH 28 34 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 13