REMARK Name = BDB024378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.381 -1.256 -0.715 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.669 -2.580 -1.407 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.834 -2.619 -2.802 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.107 -3.824 -3.453 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.220 -5.003 -2.720 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.063 -4.980 -1.336 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.792 -3.777 -0.683 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.047 -0.943 -0.566 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.046 -0.635 -1.524 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.071 -1.355 0.128 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.078 -1.782 1.284 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.094 -0.696 0.506 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.538 -0.378 -0.737 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.222 -0.455 -1.075 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.369 -0.897 -0.133 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.798 -1.268 1.127 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.161 -1.171 1.434 0.00 0.00 +0.028 A BRANCH 12 25 ATOM 18 C LIG 1 7.707 1.483 -1.406 0.00 0.00 +0.029 C ATOM 19 C LIG 1 6.664 1.201 -0.322 0.00 0.00 +0.090 C ATOM 20 N LIG 1 7.003 1.798 0.988 0.00 0.00 -0.299 N ATOM 21 C LIG 1 7.455 3.183 1.015 0.00 0.00 +0.132 C ATOM 22 C LIG 1 6.412 1.303 2.159 0.00 0.00 +0.233 C ATOM 23 O LIG 1 6.405 1.946 3.213 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 5.862 -0.139 2.147 0.00 0.00 +0.201 C ATOM 25 N LIG 1 5.449 -0.621 0.808 0.00 0.00 -0.318 N ATOM 26 C LIG 1 6.451 -0.325 -0.220 0.00 0.00 +0.128 C ENDBRANCH 12 25 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -3.467 -0.794 0.173 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.536 -1.436 0.964 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.760 -0.635 -0.494 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.805 0.018 0.446 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -7.199 -0.035 -0.192 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -5.436 1.444 0.835 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -5.417 2.485 -0.107 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.068 3.785 0.274 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.730 4.061 1.601 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -4.741 3.032 2.545 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.091 1.734 2.164 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -4.372 5.393 1.989 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -4.087 6.475 2.300 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9