REMARK Name = BDB065389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.595 -1.680 -1.782 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.354 -2.533 -1.272 0.00 0.00 -0.130 NA ATOM 3 N LIG 1 -1.506 -2.295 -1.885 0.00 0.00 -0.065 NA ATOM 4 N LIG 1 -1.292 -1.302 -2.762 0.00 0.00 -0.251 N ATOM 5 C LIG 1 0.007 -0.888 -2.745 0.00 0.00 +0.138 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 4.664 -1.663 -0.446 0.00 0.00 -0.028 A ATOM 7 C LIG 1 4.236 -0.746 -1.414 0.00 0.00 +0.006 A ATOM 8 C LIG 1 2.909 -0.744 -1.859 0.00 0.00 +0.010 A ATOM 9 C LIG 1 1.980 -1.658 -1.345 0.00 0.00 +0.004 A ATOM 10 C LIG 1 2.413 -2.574 -0.376 0.00 0.00 +0.010 A ATOM 11 C LIG 1 3.739 -2.578 0.070 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 6.097 -1.650 0.041 0.00 0.00 +0.161 C BRANCH 12 17 ATOM 13 C LIG 1 6.896 1.639 2.439 0.00 0.00 +0.123 A ATOM 14 N LIG 1 7.289 1.670 1.205 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 7.038 0.601 0.377 0.00 0.00 +0.350 A ATOM 16 O LIG 1 7.390 0.629 -0.801 0.00 0.00 -0.244 OA ATOM 17 N LIG 1 6.382 -0.512 0.912 0.00 0.00 -0.295 N ATOM 18 C LIG 1 5.960 -0.536 2.223 0.00 0.00 +0.094 A ATOM 19 C LIG 1 6.181 0.494 3.035 0.00 0.00 +0.061 A BRANCH 13 20 ATOM 20 N LIG 1 7.180 2.734 3.207 0.00 0.00 -0.343 N ATOM 21 H LIG 1 7.393 2.565 4.182 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 7.854 3.345 2.755 0.00 0.00 +0.144 HD ENDBRANCH 13 20 ENDBRANCH 12 17 ENDBRANCH 6 12 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 C LIG 1 -2.367 -0.814 -3.596 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 -2.986 0.490 -3.090 0.00 0.00 +0.024 C BRANCH 24 25 ATOM 25 C LIG 1 -3.775 0.312 -1.789 0.00 0.00 +0.006 C BRANCH 25 26 ATOM 26 C LIG 1 -4.411 1.631 -1.343 0.00 0.00 +0.035 C BRANCH 26 27 ATOM 27 C LIG 1 -5.218 1.464 -0.080 0.00 0.00 -0.047 A ATOM 28 C LIG 1 -4.586 1.470 1.171 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.329 1.300 2.343 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -6.714 1.120 2.275 0.00 0.00 +0.059 A ATOM 31 C LIG 1 -7.350 1.108 1.028 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -6.605 1.277 -0.142 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 -7.545 0.936 3.489 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -8.752 0.774 3.510 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.827 0.966 4.626 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -7.497 0.831 5.328 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 11