REMARK Name = BDB025283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.278 1.199 -1.292 0.00 0.00 -0.047 A ATOM 2 C LIG 1 3.312 2.134 -1.117 0.00 0.00 +0.014 A ATOM 3 C LIG 1 4.603 1.708 -0.733 0.00 0.00 +0.009 A ATOM 4 C LIG 1 5.819 2.400 -0.456 0.00 0.00 +0.027 A ATOM 5 C LIG 1 6.765 1.445 -0.108 0.00 0.00 +0.142 A ATOM 6 N LIG 1 6.172 0.206 -0.193 0.00 0.00 -0.313 N ATOM 7 N LIG 1 8.045 1.670 0.259 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 8.382 2.979 0.247 0.00 0.00 +0.113 A ATOM 9 C LIG 1 7.540 4.029 -0.089 0.00 0.00 +0.020 A ATOM 10 C LIG 1 6.224 3.748 -0.448 0.00 0.00 +0.013 A ATOM 11 C LIG 1 4.841 0.340 -0.552 0.00 0.00 +0.052 A ATOM 12 C LIG 1 3.824 -0.610 -0.740 0.00 0.00 +0.027 A ATOM 13 C LIG 1 2.551 -0.159 -1.108 0.00 0.00 +0.006 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 6.877 -1.033 0.135 0.00 0.00 +0.176 C ATOM 15 C LIG 1 6.790 -2.072 -0.973 0.00 0.00 +0.242 C ATOM 16 O LIG 1 6.756 -1.807 -2.172 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 6.825 -3.390 -0.571 0.00 0.00 -0.255 N ATOM 18 H LIG 1 6.802 -4.074 -1.315 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 7.060 -3.884 0.688 0.00 0.00 +0.219 C ATOM 20 O LIG 1 7.213 -5.086 0.877 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 7.189 -2.867 1.796 0.00 0.00 +0.099 C ATOM 22 C LIG 1 6.409 -1.603 1.476 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 23 ATOM 23 C LIG 1 0.893 1.641 -1.710 0.00 0.00 +0.037 C BRANCH 23 24 ATOM 24 C LIG 1 0.262 2.645 -0.740 0.00 0.00 +0.033 C BRANCH 24 25 ATOM 25 C LIG 1 -1.177 2.974 -1.124 0.00 0.00 +0.160 C BRANCH 25 26 ATOM 26 O LIG 1 -1.982 1.808 -0.958 0.00 0.00 -0.380 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.334 2.036 -1.352 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 C LIG 1 -4.152 0.782 -1.067 0.00 0.00 +0.047 C BRANCH 28 29 ATOM 29 C LIG 1 -4.228 0.496 0.434 0.00 0.00 +0.113 C BRANCH 29 31 ATOM 30 C LIG 1 -4.435 -1.978 0.632 0.00 0.00 +0.135 C ATOM 31 N LIG 1 -5.057 -0.668 0.733 0.00 0.00 -0.270 N ATOM 32 C LIG 1 -6.435 -0.503 0.774 0.00 0.00 +0.403 C ATOM 33 O LIG 1 -6.987 0.588 0.706 0.00 0.00 -0.226 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.090 -1.688 0.885 0.00 0.00 -0.445 OA BRANCH 34 35 ATOM 35 C LIG 1 -8.538 -1.744 0.940 0.00 0.00 +0.107 C ATOM 36 C LIG 1 -8.863 -3.240 1.071 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -9.164 -1.219 -0.356 0.00 0.00 +0.055 C ATOM 38 C LIG 1 -9.080 -1.016 2.175 0.00 0.00 +0.055 C ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11