REMARK Name = BDB015186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.703 2.103 -0.944 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.489 1.662 -1.496 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.704 1.785 -0.780 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.712 2.395 0.474 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.484 2.839 1.036 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.682 2.688 0.334 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 6.388 0.403 -1.675 0.00 0.00 -0.327 N ATOM 8 C LIG 1 5.205 1.077 -1.874 0.00 0.00 +0.069 A ATOM 9 C LIG 1 5.418 1.797 -3.049 0.00 0.00 +0.089 A ATOM 10 C LIG 1 4.387 2.589 -3.571 0.00 0.00 +0.030 A ATOM 11 C LIG 1 3.170 2.662 -2.880 0.00 0.00 +0.011 A ATOM 12 C LIG 1 2.967 1.968 -1.680 0.00 0.00 -0.016 A ATOM 13 N LIG 1 6.688 1.603 -3.525 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 3.995 1.149 -1.169 0.00 0.00 +0.036 A ATOM 15 C LIG 1 7.251 0.780 -2.670 0.00 0.00 +0.200 A BRANCH 7 20 ATOM 16 C LIG 1 4.887 -1.762 2.341 0.00 0.00 +0.104 C ATOM 17 N LIG 1 6.236 -2.055 1.851 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 7.110 -0.873 1.861 0.00 0.00 +0.086 C ATOM 19 C LIG 1 6.790 0.146 0.766 0.00 0.00 +0.040 C ATOM 20 C LIG 1 6.736 -0.526 -0.612 0.00 0.00 +0.091 C ATOM 21 C LIG 1 5.849 -1.780 -0.614 0.00 0.00 +0.040 C ATOM 22 C LIG 1 6.229 -2.709 0.536 0.00 0.00 +0.086 C ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 3 23 ATOM 23 O LIG 1 -1.853 1.364 -1.395 0.00 0.00 -0.489 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.550 0.363 -0.625 0.00 0.00 +0.261 C BRANCH 24 25 ATOM 25 C LIG 1 -3.927 0.148 -1.277 0.00 0.00 +0.166 C BRANCH 25 26 ATOM 26 O LIG 1 -3.753 -0.234 -2.653 0.00 0.00 -0.387 OA ATOM 27 H LIG 1 -2.968 0.253 -2.978 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.744 -0.956 -0.564 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 -4.892 -0.747 0.887 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -5.912 0.267 1.219 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -7.344 -0.222 1.265 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.644 -1.593 1.321 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.980 -2.011 1.395 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -10.009 -1.073 1.446 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.712 0.287 1.414 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.540 -2.613 1.252 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -8.387 0.711 1.327 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.183 -2.002 1.600 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 8