REMARK Name = BDB064900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.241 -0.792 -0.153 0.00 0.00 +0.201 C ATOM 2 N LIG 1 2.259 -1.019 -1.202 0.00 0.00 -0.267 N ATOM 3 C LIG 1 0.923 -1.109 -0.848 0.00 0.00 +0.222 C ATOM 4 O LIG 1 0.557 -0.886 0.308 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 2.865 -1.585 -2.407 0.00 0.00 +0.161 C ATOM 6 C LIG 1 2.743 -0.686 -3.627 0.00 0.00 +0.038 C ATOM 7 C LIG 1 4.328 -1.705 -2.002 0.00 0.00 +0.237 C ATOM 8 O LIG 1 5.202 -2.226 -2.680 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 4.503 -1.109 -0.769 0.00 0.00 -0.280 N ATOM 10 C LIG 1 5.711 -1.261 0.008 0.00 0.00 +0.134 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 3.380 0.875 1.774 0.00 0.00 +0.169 A ATOM 12 C LIG 1 3.215 0.628 0.393 0.00 0.00 +0.038 A ATOM 13 C LIG 1 3.028 1.721 -0.478 0.00 0.00 +0.043 A ATOM 14 C LIG 1 2.962 3.024 0.025 0.00 0.00 +0.130 A ATOM 15 C LIG 1 3.084 3.270 1.391 0.00 0.00 +0.082 A ATOM 16 C LIG 1 3.255 2.190 2.260 0.00 0.00 +0.164 A BRANCH 14 17 ATOM 17 N LIG 1 2.716 4.138 -0.890 0.00 0.00 +0.057 N ATOM 18 O LIG 1 3.098 5.265 -0.544 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 2.158 3.880 -1.969 0.00 0.00 -0.126 OA ENDBRANCH 14 17 BRANCH 16 20 ATOM 20 O LIG 1 3.292 2.471 3.602 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 1.955 2.581 4.103 0.00 0.00 +0.277 C ENDBRANCH 16 20 BRANCH 11 22 ATOM 22 O LIG 1 3.607 -0.236 2.546 0.00 0.00 -0.488 OA BRANCH 22 24 ATOM 23 C LIG 1 4.984 -1.410 4.093 0.00 0.00 +0.048 C ATOM 24 C LIG 1 4.386 -0.061 3.730 0.00 0.00 +0.226 C ENDBRANCH 22 24 ENDBRANCH 11 22 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 C LIG 1 -0.082 -1.413 -1.952 0.00 0.00 +0.138 C BRANCH 25 26 ATOM 26 C LIG 1 -1.322 -2.121 -1.441 0.00 0.00 +0.045 A ATOM 27 C LIG 1 -2.459 -1.380 -1.042 0.00 0.00 +0.140 A ATOM 28 O LIG 1 -2.347 -0.016 -1.134 0.00 0.00 -0.455 OA ATOM 29 C LIG 1 -3.383 0.793 -0.745 0.00 0.00 +0.140 A ATOM 30 C LIG 1 -3.147 2.186 -0.832 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -4.164 3.087 -0.463 0.00 0.00 +0.128 A ATOM 32 C LIG 1 -5.394 2.595 -0.035 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -5.610 1.218 0.051 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -4.607 0.293 -0.294 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -4.840 -1.212 -0.169 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -6.020 -1.612 -1.087 0.00 0.00 +0.021 C ATOM 37 C LIG 1 -5.190 -1.540 1.303 0.00 0.00 +0.021 C ATOM 38 C LIG 1 -3.610 -2.019 -0.577 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -3.597 -3.424 -0.499 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -2.468 -4.165 -0.858 0.00 0.00 +0.046 A ATOM 41 C LIG 1 -1.323 -3.522 -1.319 0.00 0.00 +0.127 A BRANCH 31 42 ATOM 42 O LIG 1 -3.853 4.416 -0.568 0.00 0.00 -0.495 OA ATOM 43 C LIG 1 -4.769 5.350 -0.007 0.00 0.00 +0.277 C ENDBRANCH 31 42 BRANCH 41 44 ATOM 44 O LIG 1 -0.164 -4.158 -1.684 0.00 0.00 -0.495 OA ATOM 45 C LIG 1 -0.070 -5.549 -1.404 0.00 0.00 +0.277 C ENDBRANCH 41 44 BRANCH 30 46 ATOM 46 C LIG 1 -1.794 2.717 -1.263 0.00 0.00 +0.161 C BRANCH 46 47 ATOM 47 C LIG 1 -0.955 3.105 -0.117 0.00 0.00 +0.067 C ATOM 48 N LIG 1 -0.277 3.427 0.771 0.00 0.00 -0.196 NA ENDBRANCH 46 47 ENDBRANCH 30 46 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 11