REMARK Name = BDB057324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.994 1.318 1.058 0.00 0.00 -0.269 N ATOM 2 H LIG 1 -5.934 1.306 0.679 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -4.963 0.881 2.344 0.00 0.00 +0.307 C ATOM 4 N LIG 1 -3.796 0.388 2.859 0.00 0.00 -0.275 N ATOM 5 C LIG 1 -2.593 -0.015 2.063 0.00 0.00 +0.150 C ATOM 6 C LIG 1 -1.849 -0.785 3.064 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -2.526 -0.835 4.241 0.00 0.00 +0.060 A ATOM 8 N LIG 1 -1.786 -1.551 5.105 0.00 0.00 -0.278 N ATOM 9 H LIG 1 -1.965 -1.804 6.072 0.00 0.00 +0.189 HD ATOM 10 N LIG 1 -0.638 -1.974 4.530 0.00 0.00 -0.158 NA ATOM 11 C LIG 1 -0.665 -1.500 3.274 0.00 0.00 +0.152 A ATOM 12 C LIG 1 -3.809 -0.146 4.248 0.00 0.00 +0.164 C ATOM 13 O LIG 1 -6.020 0.848 2.978 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -3.259 3.087 0.847 0.00 0.00 -0.026 A ATOM 15 C LIG 1 -4.062 2.058 0.302 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -4.006 1.781 -1.086 0.00 0.00 -0.026 A ATOM 17 C LIG 1 -3.100 2.483 -1.897 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.268 3.454 -1.354 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.354 3.758 0.001 0.00 0.00 +0.005 A BRANCH 14 21 ATOM 20 C LIG 1 -4.657 4.458 2.438 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -3.393 3.628 2.257 0.00 0.00 +0.033 C ENDBRANCH 14 21 BRANCH 16 22 ATOM 22 C LIG 1 -4.880 0.736 -1.750 0.00 0.00 +0.033 C ATOM 23 C LIG 1 -6.187 1.327 -2.256 0.00 0.00 +0.009 C ENDBRANCH 16 22 ENDBRANCH 1 15 BRANCH 11 24 ATOM 24 N LIG 1 0.311 -1.686 2.318 0.00 0.00 -0.265 N ATOM 25 H LIG 1 0.136 -1.252 1.427 0.00 0.00 +0.157 HD ATOM 26 C LIG 1 1.514 -2.330 2.523 0.00 0.00 +0.249 C ATOM 27 O LIG 1 1.959 -2.780 3.572 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 2.372 -2.429 1.307 0.00 0.00 +0.037 A ATOM 29 C LIG 1 1.835 -2.622 0.033 0.00 0.00 +0.015 A ATOM 30 C LIG 1 2.685 -2.701 -1.077 0.00 0.00 +0.024 A ATOM 31 C LIG 1 4.083 -2.604 -0.953 0.00 0.00 +0.030 A ATOM 32 C LIG 1 4.598 -2.433 0.339 0.00 0.00 +0.024 A ATOM 33 C LIG 1 3.758 -2.349 1.457 0.00 0.00 +0.015 A BRANCH 31 34 ATOM 34 N LIG 1 4.879 -2.692 -2.100 0.00 0.00 -0.327 N ATOM 35 C LIG 1 4.588 -1.644 -3.111 0.00 0.00 +0.120 C ATOM 36 C LIG 1 5.742 -1.488 -4.130 0.00 0.00 +0.103 C ATOM 37 N LIG 1 7.072 -1.212 -3.542 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 7.357 0.219 -3.483 0.00 0.00 +0.105 C ATOM 39 C LIG 1 7.209 -1.826 -2.200 0.00 0.00 +0.103 C ATOM 40 C LIG 1 6.307 -3.062 -1.994 0.00 0.00 +0.120 C ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 11 24 TORSDOF 6