REMARK Name = BDB001573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.269 -1.050 -0.413 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.499 -2.074 0.152 0.00 0.00 -0.288 N ATOM 3 C LIG 1 1.559 -2.694 -0.659 0.00 0.00 +0.165 C ATOM 4 C LIG 1 0.851 -3.898 -1.299 0.00 0.00 +0.017 C ATOM 5 C LIG 1 1.771 -5.087 -1.548 0.00 0.00 +0.010 C ATOM 6 C LIG 1 -0.263 -4.247 -0.279 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.165 -3.181 0.819 0.00 0.00 +0.109 C ATOM 8 O LIG 1 0.014 -0.531 -1.495 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 2.473 -1.840 -1.571 0.00 0.00 +0.238 C ATOM 10 N LIG 1 2.912 -0.696 -0.929 0.00 0.00 -0.283 N ATOM 11 H LIG 1 2.450 -0.483 -0.043 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.867 -2.264 -2.655 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 3.847 0.278 -1.353 0.00 0.00 +0.044 A ATOM 14 C LIG 1 4.080 1.420 -0.534 0.00 0.00 +0.040 A ATOM 15 C LIG 1 5.030 2.365 -0.996 0.00 0.00 +0.013 A ATOM 16 C LIG 1 5.720 2.203 -2.198 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.476 1.086 -2.980 0.00 0.00 +0.002 A ATOM 18 C LIG 1 4.548 0.132 -2.561 0.00 0.00 +0.024 A BRANCH 14 19 ATOM 19 C LIG 1 3.382 1.677 0.754 0.00 0.00 +0.161 A ATOM 20 N LIG 1 3.568 2.880 1.339 0.00 0.00 -0.236 NA ATOM 21 C LIG 1 2.893 3.115 2.480 0.00 0.00 +0.114 A ATOM 22 C LIG 1 2.059 2.200 3.070 0.00 0.00 +0.039 A ATOM 23 C LIG 1 1.940 1.002 2.413 0.00 0.00 +0.114 A ATOM 24 N LIG 1 2.581 0.712 1.262 0.00 0.00 -0.236 NA ENDBRANCH 14 19 ENDBRANCH 10 13 ENDBRANCH 3 9 BRANCH 1 25 ATOM 25 C LIG 1 -1.483 -0.524 0.394 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 C LIG 1 -2.811 -1.151 -0.096 0.00 0.00 +0.018 C ATOM 27 C LIG 1 -3.927 -0.948 0.952 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -5.343 -1.067 0.379 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.391 -1.965 -0.848 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -4.500 -1.438 -1.972 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -3.279 -0.656 -1.473 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 33 ATOM 32 C LIG 1 -1.317 1.781 1.314 0.00 0.00 +0.230 C ATOM 33 N LIG 1 -1.491 0.933 0.246 0.00 0.00 -0.302 N ATOM 34 H LIG 1 -1.254 1.263 -0.684 0.00 0.00 +0.150 HD ATOM 35 O LIG 1 -1.312 1.377 2.479 0.00 0.00 -0.274 OA BRANCH 32 36 ATOM 36 C LIG 1 -1.249 3.296 0.966 0.00 0.00 +0.137 C ATOM 37 C LIG 1 -0.223 3.597 -0.123 0.00 0.00 +0.034 C BRANCH 36 39 ATOM 38 C LIG 1 -1.481 5.374 2.217 0.00 0.00 +0.101 C ATOM 39 N LIG 1 -0.898 4.040 2.201 0.00 0.00 -0.309 NA ATOM 40 H LIG 1 -1.273 3.503 2.991 0.00 0.00 +0.122 HD ENDBRANCH 36 39 ENDBRANCH 32 36 ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 8