REMARK Name = BDB039483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.474 -0.678 -1.051 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.254 -0.040 -0.062 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.623 -0.259 -0.028 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.653 0.298 0.896 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.871 -0.372 0.457 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.664 -1.136 -0.683 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.492 -1.733 -1.343 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.224 -1.099 -0.961 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.509 -1.749 -1.944 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.128 -1.534 -1.978 0.00 0.00 +0.011 A ENDROOT BRANCH 1 16 ATOM 11 N LIG 1 -3.952 -2.377 -1.815 0.00 0.00 -0.329 N ATOM 12 C LIG 1 -3.032 -1.401 -1.510 0.00 0.00 +0.142 A ATOM 13 C LIG 1 -3.726 -0.218 -1.266 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -2.978 0.929 -0.933 0.00 0.00 -0.021 A ATOM 15 C LIG 1 -1.581 0.761 -0.875 0.00 0.00 +0.034 A ATOM 16 C LIG 1 -0.991 -0.479 -1.128 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -5.108 -0.514 -1.432 0.00 0.00 +0.029 A ATOM 18 N LIG 1 -1.699 -1.583 -1.462 0.00 0.00 -0.229 NA ATOM 19 C LIG 1 -5.219 -1.845 -1.769 0.00 0.00 +0.088 A BRANCH 11 21 ATOM 20 C LIG 1 -4.211 -4.733 -1.108 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -3.621 -3.765 -2.134 0.00 0.00 +0.083 C ATOM 22 C LIG 1 -4.046 -4.131 -3.556 0.00 0.00 +0.030 C ENDBRANCH 11 21 BRANCH 14 23 ATOM 23 C LIG 1 -3.584 2.284 -0.649 0.00 0.00 +0.120 C BRANCH 23 24 ATOM 24 N LIG 1 -3.280 2.765 0.703 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 -3.745 4.138 0.909 0.00 0.00 +0.085 C ATOM 26 C LIG 1 -3.680 4.297 2.420 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -3.839 2.885 2.973 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -3.947 1.986 1.750 0.00 0.00 +0.085 C ENDBRANCH 23 24 ENDBRANCH 14 23 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 6.206 0.015 0.895 0.00 0.00 +0.163 C ATOM 30 C LIG 1 6.610 1.407 0.378 0.00 0.00 +0.240 C ATOM 31 O LIG 1 5.992 2.040 -0.475 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 7.742 1.939 0.952 0.00 0.00 -0.255 N ATOM 33 H LIG 1 7.990 2.862 0.619 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 8.223 1.636 2.200 0.00 0.00 +0.219 C ATOM 35 O LIG 1 8.978 2.402 2.792 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 7.791 0.313 2.788 0.00 0.00 +0.098 C ATOM 37 C LIG 1 6.352 -0.011 2.413 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 5