REMARK Name = BDB001380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.518 0.863 0.642 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -1.607 0.831 -0.815 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -2.268 1.932 -1.327 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -2.473 2.220 -2.491 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -2.675 2.763 -0.190 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -3.359 3.965 -0.195 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -3.603 4.569 1.040 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.160 3.968 2.233 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.467 2.752 2.212 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -2.230 2.155 0.982 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.210 -0.329 1.317 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.518 -0.709 0.954 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -4.153 -1.792 1.567 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -3.500 -2.511 2.564 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -2.216 -2.143 2.955 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -1.582 -1.058 2.344 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 -0.143 0.915 1.057 0.00 0.00 -0.346 OA BRANCH 17 18 ATOM 18 C LIG 1 0.683 1.922 0.462 0.00 0.00 +0.182 C BRANCH 18 19 ATOM 19 C LIG 1 2.084 1.889 1.091 0.00 0.00 +0.133 C BRANCH 19 20 ATOM 20 N LIG 1 2.815 0.647 0.763 0.00 0.00 -0.327 N BRANCH 20 24 ATOM 21 C LIG 1 6.956 -1.263 -1.223 0.00 0.00 +0.044 C ATOM 22 C LIG 1 5.810 -0.296 -1.288 0.00 0.00 -0.049 A ATOM 23 C LIG 1 4.851 -0.265 -0.258 0.00 0.00 +0.026 A ATOM 24 C LIG 1 3.774 0.640 -0.246 0.00 0.00 +0.030 A ATOM 25 C LIG 1 3.714 1.532 -1.330 0.00 0.00 +0.023 A ATOM 26 C LIG 1 4.664 1.527 -2.358 0.00 0.00 +0.002 A ATOM 27 C LIG 1 5.713 0.617 -2.335 0.00 0.00 +0.003 A ENDBRANCH 20 24 BRANCH 20 28 ATOM 28 C LIG 1 2.676 -0.464 1.721 0.00 0.00 +0.120 C BRANCH 28 29 ATOM 29 C LIG 1 2.101 -1.720 1.063 0.00 0.00 +0.137 C BRANCH 29 30 ATOM 30 C LIG 1 1.885 -2.763 2.071 0.00 0.00 +0.064 C ATOM 31 N LIG 1 1.712 -3.576 2.880 0.00 0.00 -0.197 NA ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 20 28 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 32 ATOM 32 C LIG 1 -0.993 -0.193 -1.640 0.00 0.00 +0.146 C BRANCH 32 33 ATOM 33 C LIG 1 -1.910 -1.345 -1.966 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -2.966 -1.181 -2.875 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.820 -2.244 -3.171 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.630 -3.483 -2.563 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.585 -3.660 -1.659 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.728 -2.598 -1.363 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11