REMARK Name = BDB064660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.135 0.293 -1.102 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.393 0.914 -2.209 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.396 0.446 -3.110 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.406 0.894 -0.066 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 2.347 -1.739 0.261 0.00 0.00 +0.241 C ATOM 6 N LIG 1 1.012 -1.801 -0.091 0.00 0.00 -0.286 N ATOM 7 C LIG 1 0.350 -1.226 -1.267 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -0.993 -1.950 -1.308 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -1.326 -2.135 0.172 0.00 0.00 +0.134 C ATOM 10 C LIG 1 0.041 -2.425 0.795 0.00 0.00 +0.140 C ATOM 11 O LIG 1 2.739 -2.281 1.298 0.00 0.00 -0.273 OA BRANCH 5 13 ATOM 12 C LIG 1 3.912 -2.130 -1.644 0.00 0.00 +0.042 C ATOM 13 C LIG 1 3.316 -1.074 -0.715 0.00 0.00 +0.191 C BRANCH 13 14 ATOM 14 N LIG 1 4.356 -0.307 -0.041 0.00 0.00 -0.240 N ATOM 15 N LIG 1 4.613 0.955 -0.453 0.00 0.00 -0.065 NA ATOM 16 N LIG 1 5.650 1.401 0.244 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 6.055 0.400 1.077 0.00 0.00 +0.086 A ATOM 18 C LIG 1 5.261 -0.705 0.900 0.00 0.00 +0.134 A BRANCH 17 19 ATOM 19 C LIG 1 7.235 0.493 2.072 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.206 1.641 1.974 0.00 0.00 +0.010 C ATOM 21 C LIG 1 7.223 1.587 3.108 0.00 0.00 +0.010 C ENDBRANCH 17 19 ENDBRANCH 13 14 ENDBRANCH 5 13 BRANCH 9 22 ATOM 22 O LIG 1 -2.245 -3.201 0.334 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 -2.478 -3.235 1.280 0.00 0.00 +0.210 HD ENDBRANCH 9 22 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 -0.666 2.351 -2.225 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 0.058 2.933 -3.446 0.00 0.00 +0.231 C ATOM 26 O LIG 1 0.372 2.256 -4.424 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 0.285 4.280 -3.426 0.00 0.00 -0.328 N ATOM 28 H LIG 1 0.369 4.771 -2.545 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 0.856 4.633 -4.186 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 -2.172 2.652 -2.332 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 -3.020 1.911 -1.322 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.013 1.025 -1.753 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.757 0.285 -0.828 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.535 0.410 0.552 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -3.558 1.325 0.974 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -2.813 2.070 0.053 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 -5.285 -0.408 1.522 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -5.409 -1.799 1.352 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -6.109 -2.581 2.275 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.701 -1.985 3.385 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -6.593 -0.610 3.573 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -5.891 0.171 2.650 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10