REMARK Name = BDB035229 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.682 0.298 1.968 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -5.491 -0.531 1.550 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -4.700 -0.109 0.502 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -3.664 -0.923 0.029 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -3.007 -0.640 -0.974 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -3.364 -2.162 0.784 0.00 0.00 +0.086 A ATOM 7 C LIG 1 -4.189 -2.425 1.880 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -3.949 -3.553 2.664 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -2.902 -4.415 2.357 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.084 -4.152 1.257 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -2.283 -3.018 0.453 0.00 0.00 +0.042 A ATOM 12 N LIG 1 -5.269 -1.609 2.228 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -4.956 1.141 -0.241 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -5.497 0.828 -1.641 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -6.234 -0.127 -1.880 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -5.218 1.755 -2.619 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -5.589 1.551 -3.537 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -4.628 2.985 -2.470 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -4.574 3.779 -3.405 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -4.147 3.344 -1.083 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -3.764 2.103 -0.290 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 N LIG 1 -1.487 -2.798 -0.681 0.00 0.00 -0.343 N ATOM 23 H LIG 1 -1.726 -1.908 -1.137 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.052 -3.063 -0.664 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 0.714 -2.139 0.287 0.00 0.00 +0.020 C BRANCH 25 26 ATOM 26 C LIG 1 0.671 -0.669 -0.147 0.00 0.00 +0.017 C BRANCH 26 27 ATOM 27 C LIG 1 1.406 0.270 0.817 0.00 0.00 +0.081 C BRANCH 27 28 ATOM 28 N LIG 1 2.825 -0.005 1.034 0.00 0.00 -0.313 NA ATOM 29 H LIG 1 2.933 -0.915 1.481 0.00 0.00 +0.122 HD BRANCH 28 30 ATOM 30 C LIG 1 3.680 0.059 -0.160 0.00 0.00 +0.060 C ATOM 31 C LIG 1 5.133 -0.337 0.233 0.00 0.00 +0.007 C ATOM 32 C LIG 1 5.747 0.713 1.183 0.00 0.00 +0.008 C ATOM 33 C LIG 1 5.771 2.091 0.500 0.00 0.00 -0.010 C ATOM 34 C LIG 1 6.625 2.004 -0.777 0.00 0.00 +0.007 C ATOM 35 C LIG 1 6.029 0.962 -1.738 0.00 0.00 -0.010 C ATOM 36 C LIG 1 4.594 1.376 -2.103 0.00 0.00 +0.008 C ATOM 37 C LIG 1 4.338 2.501 0.122 0.00 0.00 +0.008 C ATOM 38 C LIG 1 5.996 -0.409 -1.042 0.00 0.00 +0.008 C ATOM 39 C LIG 1 3.722 1.458 -0.833 0.00 0.00 +0.007 C ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 11 22 TORSDOF 8