REMARK Name = BDB039347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.216 -2.480 1.567 0.00 0.00 +0.055 A ATOM 2 N LIG 1 0.102 -3.877 1.597 0.00 0.00 -0.299 N ATOM 3 C LIG 1 -1.112 -4.540 1.712 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -0.803 -5.880 1.702 0.00 0.00 +0.138 A ATOM 5 N LIG 1 0.550 -6.070 1.582 0.00 0.00 -0.243 NA ATOM 6 C LIG 1 -2.296 -3.761 1.805 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -2.218 -2.412 1.772 0.00 0.00 -0.030 A ATOM 8 C LIG 1 1.063 -4.859 1.520 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -0.914 -1.747 1.655 0.00 0.00 +0.031 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.093 0.411 -0.501 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.160 0.211 0.870 0.00 0.00 +0.248 C ATOM 12 O LIG 1 6.028 0.561 1.646 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.941 -0.509 1.254 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.141 -0.640 0.121 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.916 -1.280 0.201 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.511 -1.794 1.446 0.00 0.00 -0.001 A ATOM 17 C LIG 1 2.336 -1.645 2.584 0.00 0.00 +0.011 A ATOM 18 C LIG 1 3.569 -0.994 2.493 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.804 0.008 -1.047 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.769 4.282 -1.867 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 7.980 3.376 -1.616 0.00 0.00 +0.219 C ATOM 22 N LIG 1 6.710 3.647 -1.172 0.00 0.00 -0.255 N ATOM 23 H LIG 1 6.488 4.624 -1.037 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 5.670 2.764 -0.993 0.00 0.00 +0.240 C ATOM 25 O LIG 1 4.538 3.180 -0.748 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 5.992 1.284 -1.249 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.474 1.005 -0.995 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.315 1.924 -1.867 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 -3.438 -1.528 1.881 0.00 0.00 +0.116 C BRANCH 29 30 ATOM 30 N LIG 1 -3.605 -0.717 0.674 0.00 0.00 -0.308 NA ATOM 31 H LIG 1 -3.750 -1.337 -0.122 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.776 0.163 0.789 0.00 0.00 +0.117 C BRANCH 32 33 ATOM 33 C LIG 1 -4.988 1.049 -0.430 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -6.279 1.567 -0.759 0.00 0.00 -0.013 A ATOM 35 C LIG 1 -6.412 2.397 -1.904 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -7.668 2.911 -2.265 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -8.804 2.632 -1.509 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.695 1.836 -0.378 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -5.286 2.716 -2.675 0.00 0.00 +0.008 A ATOM 40 C LIG 1 -4.027 2.242 -2.329 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -7.452 1.315 -0.007 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -3.879 1.425 -1.214 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 6