REMARK Name = BDB012997 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.084 -1.338 -3.685 0.00 0.00 -0.025 A ATOM 2 C LIG 1 2.422 -0.940 -3.551 0.00 0.00 +0.018 A ATOM 3 C LIG 1 3.418 -1.882 -3.267 0.00 0.00 +0.037 A ATOM 4 C LIG 1 3.102 -3.239 -3.181 0.00 0.00 +0.013 A ATOM 5 C LIG 1 1.776 -3.644 -3.322 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.772 -2.700 -3.563 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 4.825 -1.449 -3.134 0.00 0.00 +0.250 C ATOM 8 N LIG 1 5.186 -0.460 -2.247 0.00 0.00 -0.252 N ATOM 9 H LIG 1 6.136 -0.137 -2.357 0.00 0.00 +0.158 HD ATOM 10 O LIG 1 5.671 -1.938 -3.884 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 4.473 -0.099 -1.132 0.00 0.00 +0.201 A ATOM 12 N LIG 1 4.923 0.897 -0.301 0.00 0.00 -0.326 N ATOM 13 H LIG 1 5.757 1.444 -0.442 0.00 0.00 +0.169 HD ATOM 14 C LIG 1 4.049 1.018 0.749 0.00 0.00 +0.067 A ATOM 15 C LIG 1 3.085 0.050 0.496 0.00 0.00 +0.091 A ATOM 16 C LIG 1 2.031 -0.124 1.403 0.00 0.00 +0.030 A ATOM 17 C LIG 1 1.988 0.688 2.544 0.00 0.00 +0.002 A ATOM 18 C LIG 1 2.966 1.661 2.768 0.00 0.00 +0.002 A ATOM 19 C LIG 1 4.023 1.852 1.870 0.00 0.00 +0.028 A ATOM 20 N LIG 1 3.359 -0.616 -0.670 0.00 0.00 -0.214 NA ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 0.006 -0.312 -3.956 0.00 0.00 +0.182 C BRANCH 21 24 ATOM 22 C LIG 1 -1.056 0.957 -0.752 0.00 0.00 +0.093 A ATOM 23 N LIG 1 -0.943 0.187 -1.791 0.00 0.00 -0.168 NA ATOM 24 N LIG 1 -0.172 0.626 -2.850 0.00 0.00 -0.225 N ATOM 25 C LIG 1 0.487 1.846 -2.874 0.00 0.00 +0.268 A ATOM 26 O LIG 1 1.188 2.262 -3.794 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 0.301 2.703 -1.688 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -0.439 2.299 -0.656 0.00 0.00 +0.035 A BRANCH 22 32 ATOM 29 C LIG 1 -3.368 -0.413 2.551 0.00 0.00 +0.055 A ATOM 30 N LIG 1 -2.408 0.523 2.770 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -1.685 0.940 1.700 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -1.869 0.483 0.403 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -2.850 -0.490 0.205 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -3.610 -0.942 1.284 0.00 0.00 +0.025 A BRANCH 29 35 ATOM 35 C LIG 1 -4.188 -0.876 3.747 0.00 0.00 +0.139 C BRANCH 35 37 ATOM 36 C LIG 1 -5.011 1.286 4.510 0.00 0.00 +0.105 C ATOM 37 N LIG 1 -5.372 -0.070 4.106 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 -6.393 -0.055 3.065 0.00 0.00 +0.105 C ENDBRANCH 35 37 ENDBRANCH 29 35 ENDBRANCH 22 32 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 7