REMARK Name = BDB024328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.304 0.589 -2.266 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.775 1.756 -1.408 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.645 1.766 -0.009 0.00 0.00 +0.005 A ATOM 4 C LIG 1 3.095 2.853 0.742 0.00 0.00 +0.000 A ATOM 5 C LIG 1 3.693 3.940 0.109 0.00 0.00 +0.000 A ATOM 6 C LIG 1 3.846 3.940 -1.275 0.00 0.00 +0.000 A ATOM 7 C LIG 1 3.394 2.855 -2.028 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.012 0.685 -1.452 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.120 1.686 -1.532 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 1.038 -0.159 -1.748 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.994 -1.388 -1.689 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.907 -0.034 -0.078 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -3.325 1.214 -0.327 0.00 0.00 +0.136 A ATOM 14 N LIG 1 -2.063 1.438 -0.781 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 -1.286 0.362 -0.990 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -1.734 -0.923 -0.752 0.00 0.00 +0.045 A ATOM 17 C LIG 1 -3.044 -1.113 -0.289 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 N LIG 1 -7.943 -0.472 1.212 0.00 0.00 -0.299 N ATOM 19 C LIG 1 -7.125 -1.587 1.343 0.00 0.00 +0.233 C ATOM 20 O LIG 1 -7.534 -2.638 1.846 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 -5.694 -1.524 0.772 0.00 0.00 +0.201 C ATOM 22 N LIG 1 -5.215 -0.170 0.399 0.00 0.00 -0.318 N ATOM 23 C LIG 1 -6.253 0.648 -0.246 0.00 0.00 +0.124 C ATOM 24 C LIG 1 -7.426 0.801 0.724 0.00 0.00 +0.126 C BRANCH 18 26 ATOM 25 C LIG 1 -10.320 -0.850 0.704 0.00 0.00 +0.024 C ATOM 26 C LIG 1 -9.293 -0.494 1.765 0.00 0.00 +0.104 C ENDBRANCH 18 26 ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 3.385 -0.368 -2.636 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 2.908 -1.133 -3.124 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 4.079 -0.972 -1.486 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 5.464 -0.337 -1.211 0.00 0.00 +0.030 C ATOM 31 C LIG 1 6.438 -0.547 -2.378 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 6.045 -0.859 0.097 0.00 0.00 -0.043 A ATOM 33 C LIG 1 6.191 0.015 1.186 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.712 -0.438 2.400 0.00 0.00 +0.019 A ATOM 35 C LIG 1 7.091 -1.775 2.545 0.00 0.00 +0.052 A ATOM 36 C LIG 1 6.947 -2.655 1.469 0.00 0.00 +0.019 A ATOM 37 C LIG 1 6.426 -2.200 0.254 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 7.625 -2.241 3.790 0.00 0.00 +0.099 C ATOM 39 N LIG 1 8.057 -2.618 4.800 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10