REMARK Name = BDB007668 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.009 1.008 0.875 0.00 0.00 -0.033 A ATOM 2 C LIG 1 0.530 0.037 0.002 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.539 0.362 -0.914 0.00 0.00 +0.037 A ATOM 4 C LIG 1 2.020 1.676 -0.972 0.00 0.00 +0.013 A ATOM 5 C LIG 1 1.515 2.645 -0.104 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.521 2.312 0.818 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.058 -0.710 -1.812 0.00 0.00 +0.244 C ATOM 8 N LIG 1 3.333 -0.528 -2.304 0.00 0.00 -0.309 N ATOM 9 H LIG 1 3.945 0.123 -1.826 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 1.393 -1.714 -2.038 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 4.014 -1.578 -3.037 0.00 0.00 +0.137 C BRANCH 11 12 ATOM 12 C LIG 1 4.454 -2.773 -2.171 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 O LIG 1 5.350 -3.600 -2.927 0.00 0.00 -0.389 OA ATOM 14 H LIG 1 5.465 -4.426 -2.427 0.00 0.00 +0.210 HD ENDBRANCH 12 13 BRANCH 12 15 ATOM 15 C LIG 1 5.091 -2.375 -0.812 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 6.013 -1.217 -0.833 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 6.315 -0.798 0.552 0.00 0.00 +0.120 C ATOM 18 C LIG 1 7.339 0.312 0.639 0.00 0.00 -0.030 A ATOM 19 C LIG 1 8.236 0.548 -0.416 0.00 0.00 -0.042 A ATOM 20 C LIG 1 9.198 1.560 -0.301 0.00 0.00 +0.004 A ATOM 21 C LIG 1 9.286 2.317 0.867 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.412 2.073 1.923 0.00 0.00 +0.000 A ATOM 23 C LIG 1 8.117 -0.242 -1.694 0.00 0.00 +0.051 C ATOM 24 C LIG 1 7.445 1.074 1.812 0.00 0.00 +0.005 A ATOM 25 C LIG 1 7.272 -1.515 -1.535 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 -1.062 0.645 1.884 0.00 0.00 +0.119 C BRANCH 26 30 ATOM 27 N LIG 1 -5.250 0.085 1.348 0.00 0.00 -0.300 NA ATOM 28 C LIG 1 -4.390 1.242 1.031 0.00 0.00 +0.100 C ATOM 29 C LIG 1 -3.030 0.832 0.422 0.00 0.00 +0.100 C ATOM 30 N LIG 1 -2.214 -0.043 1.290 0.00 0.00 -0.296 NA ATOM 31 C LIG 1 -3.035 -0.681 2.335 0.00 0.00 +0.100 C ATOM 32 C LIG 1 -4.454 -1.055 1.848 0.00 0.00 +0.100 C BRANCH 27 33 ATOM 33 C LIG 1 -6.341 0.479 2.248 0.00 0.00 +0.085 C BRANCH 33 34 ATOM 34 C LIG 1 -7.519 -0.510 2.232 0.00 0.00 +0.024 C BRANCH 34 35 ATOM 35 C LIG 1 -8.132 -0.713 0.843 0.00 0.00 +0.097 C BRANCH 35 38 ATOM 36 C LIG 1 -9.912 1.669 -1.557 0.00 0.00 +0.131 C ATOM 37 N LIG 1 -9.330 0.464 -0.989 0.00 0.00 -0.308 N ATOM 38 C LIG 1 -8.883 0.510 0.331 0.00 0.00 +0.215 C ATOM 39 O LIG 1 -9.112 1.473 1.065 0.00 0.00 -0.276 OA ATOM 40 C LIG 1 -8.930 -0.563 -1.938 0.00 0.00 +0.131 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 12