REMARK Name = BDB060753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.823 0.304 -0.135 0.00 0.00 -0.275 N ATOM 2 C LIG 1 -4.092 -0.218 -0.115 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -5.009 0.034 -0.881 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -4.105 -1.103 0.961 0.00 0.00 -0.209 N ATOM 5 N LIG 1 -2.867 -1.150 1.559 0.00 0.00 -0.153 NA ATOM 6 C LIG 1 -2.155 -0.304 0.868 0.00 0.00 +0.134 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.343 1.224 -1.147 0.00 0.00 +0.163 C BRANCH 7 10 ATOM 8 C LIG 1 -0.440 4.345 -0.030 0.00 0.00 +0.120 A ATOM 9 C LIG 1 -0.733 3.090 -0.571 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -2.046 2.594 -0.587 0.00 0.00 -0.024 A ATOM 11 C LIG 1 -3.074 3.390 -0.067 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -2.788 4.646 0.468 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -1.474 5.122 0.489 0.00 0.00 +0.045 A BRANCH 8 15 ATOM 14 C LIG 1 1.232 5.969 0.437 0.00 0.00 +0.277 C ATOM 15 O LIG 1 0.885 4.683 -0.063 0.00 0.00 -0.495 OA ENDBRANCH 8 15 ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 4 16 ATOM 16 C LIG 1 -5.186 -1.992 1.308 0.00 0.00 +0.184 C BRANCH 16 17 ATOM 17 C LIG 1 -5.093 -3.311 0.582 0.00 0.00 -0.026 A ATOM 18 C LIG 1 -4.334 -4.362 1.111 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -4.233 -5.578 0.431 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -4.874 -5.758 -0.800 0.00 0.00 -0.050 A ATOM 21 C LIG 1 -4.792 -7.074 -1.515 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -5.633 -4.709 -1.331 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.734 -3.493 -0.651 0.00 0.00 +0.006 A ENDBRANCH 16 17 ENDBRANCH 4 16 BRANCH 6 24 ATOM 24 C LIG 1 -0.722 0.035 1.170 0.00 0.00 +0.077 C BRANCH 24 25 ATOM 25 C LIG 1 -0.013 -0.984 2.059 0.00 0.00 +0.012 C BRANCH 25 26 ATOM 26 C LIG 1 1.368 -0.500 2.519 0.00 0.00 +0.035 C BRANCH 26 27 ATOM 27 C LIG 1 2.314 -0.203 1.381 0.00 0.00 -0.047 A ATOM 28 C LIG 1 2.550 1.121 0.982 0.00 0.00 +0.007 A ATOM 29 C LIG 1 3.390 1.395 -0.099 0.00 0.00 +0.046 A ATOM 30 C LIG 1 4.027 0.351 -0.764 0.00 0.00 +0.122 A ATOM 31 C LIG 1 3.772 -0.969 -0.403 0.00 0.00 +0.046 A ATOM 32 C LIG 1 2.928 -1.246 0.674 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 O LIG 1 4.799 0.626 -1.855 0.00 0.00 -0.475 OA BRANCH 33 34 ATOM 34 C LIG 1 6.216 0.778 -1.614 0.00 0.00 +0.200 C ATOM 35 C LIG 1 6.884 -0.574 -1.329 0.00 0.00 +0.067 C ATOM 36 C LIG 1 6.572 1.798 -0.523 0.00 0.00 +0.067 C BRANCH 34 37 ATOM 37 C LIG 1 6.768 1.320 -2.942 0.00 0.00 +0.348 C ATOM 38 O LIG 1 7.675 0.846 -3.611 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 6.162 2.454 -3.362 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 6.588 2.646 -4.223 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 13