REMARK Name = BDB042130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.666 1.635 2.102 0.00 0.00 +0.120 C ENDROOT BRANCH 1 9 ATOM 2 N LIG 1 5.630 0.872 -1.270 0.00 0.00 -0.222 N ATOM 3 C LIG 1 5.069 0.338 -0.144 0.00 0.00 +0.255 C ATOM 4 O LIG 1 5.477 -0.567 0.556 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.821 1.059 0.090 0.00 0.00 +0.050 A ATOM 6 C LIG 1 3.696 2.008 -0.907 0.00 0.00 +0.049 A ATOM 7 C LIG 1 2.615 2.862 -0.972 0.00 0.00 +0.014 A ATOM 8 C LIG 1 1.638 2.729 0.020 0.00 0.00 +0.006 A ATOM 9 C LIG 1 1.755 1.758 1.051 0.00 0.00 -0.033 A ATOM 10 C LIG 1 2.872 0.906 1.082 0.00 0.00 +0.018 A ATOM 11 C LIG 1 4.868 1.893 -1.772 0.00 0.00 +0.254 C ATOM 12 O LIG 1 5.091 2.618 -2.723 0.00 0.00 -0.270 OA BRANCH 2 19 ATOM 13 O LIG 1 9.135 -2.512 0.007 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 8.517 -1.605 -0.545 0.00 0.00 +0.219 C ATOM 15 N LIG 1 7.759 -1.853 -1.661 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.678 -2.831 -1.902 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.816 -1.030 -2.223 0.00 0.00 +0.240 C ATOM 18 O LIG 1 5.933 -1.494 -2.943 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.892 0.453 -1.863 0.00 0.00 +0.171 C ATOM 20 C LIG 1 8.138 0.826 -1.064 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.509 -0.196 -0.005 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 9 BRANCH 1 22 ATOM 22 N LIG 1 -0.590 1.178 1.504 0.00 0.00 -0.290 NA ATOM 23 C LIG 1 -1.698 1.022 2.514 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -3.051 0.951 1.752 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.161 -0.307 0.958 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -1.831 -0.656 0.377 0.00 0.00 +0.104 C ATOM 27 C LIG 1 -1.137 -0.388 2.848 0.00 0.00 +0.040 C ATOM 28 C LIG 1 -0.678 -0.323 1.364 0.00 0.00 +0.073 C BRANCH 25 29 ATOM 29 C LIG 1 -4.214 -0.210 -0.092 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -5.593 0.180 0.460 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.345 1.181 -0.179 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.608 1.539 0.297 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.140 0.899 1.414 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.413 -0.100 2.056 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.150 -0.460 1.581 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -4.339 -1.475 -0.952 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -4.414 -2.756 -0.378 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.542 -3.892 -1.179 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.603 -3.765 -2.565 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.537 -2.503 -3.151 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.409 -1.365 -2.351 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 1 22 TORSDOF 6