REMARK Name = BDB008437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.694 -2.063 -2.313 0.00 0.00 +0.011 C ATOM 2 C LIG 1 -1.707 -0.877 -2.326 0.00 0.00 -0.024 C ATOM 3 C LIG 1 -0.728 -0.974 -1.119 0.00 0.00 +0.060 C ATOM 4 C LIG 1 -1.395 -0.522 0.138 0.00 0.00 +0.029 A ATOM 5 N LIG 1 -0.972 -0.769 1.421 0.00 0.00 -0.342 N ATOM 6 C LIG 1 -1.882 -0.222 2.314 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -2.861 0.433 1.555 0.00 0.00 +0.021 A ATOM 8 C LIG 1 -3.913 1.091 2.191 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -3.959 1.080 3.598 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -2.981 0.427 4.346 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -4.973 1.774 1.431 0.00 0.00 +0.272 A ATOM 12 O LIG 1 -5.881 2.318 2.070 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.033 1.850 0.056 0.00 0.00 -0.242 N ATOM 14 H LIG 1 -5.852 2.376 -0.240 0.00 0.00 +0.192 HD ATOM 15 N LIG 1 -4.274 1.446 -0.996 0.00 0.00 -0.175 NA ATOM 16 C LIG 1 -3.184 0.750 -0.970 0.00 0.00 +0.071 A ATOM 17 C LIG 1 -1.926 -0.236 3.717 0.00 0.00 +0.026 A ATOM 18 C LIG 1 -2.529 0.262 0.208 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -2.490 0.463 -2.303 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -0.887 -0.952 -3.628 0.00 0.00 +0.011 C ENDROOT BRANCH 5 21 ATOM 21 C LIG 1 0.229 -1.500 1.806 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 1.382 -0.587 2.255 0.00 0.00 +0.106 C BRANCH 22 23 ATOM 23 N LIG 1 1.961 0.189 1.137 0.00 0.00 -0.292 NA BRANCH 23 24 ATOM 24 C LIG 1 3.301 -0.300 0.759 0.00 0.00 +0.120 C BRANCH 24 25 ATOM 25 C LIG 1 3.269 -1.657 0.087 0.00 0.00 -0.033 A ATOM 26 C LIG 1 3.669 -2.814 0.770 0.00 0.00 +0.005 A ATOM 27 C LIG 1 3.618 -4.059 0.141 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.172 -4.160 -1.176 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.779 -3.016 -1.868 0.00 0.00 +0.000 A ATOM 30 C LIG 1 2.829 -1.771 -1.240 0.00 0.00 +0.005 A ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 31 ATOM 31 C LIG 1 1.995 1.626 1.467 0.00 0.00 +0.120 C BRANCH 31 32 ATOM 32 C LIG 1 2.171 2.511 0.251 0.00 0.00 -0.033 A ATOM 33 C LIG 1 1.139 2.622 -0.693 0.00 0.00 +0.005 A ATOM 34 C LIG 1 1.290 3.432 -1.819 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.473 4.142 -2.012 0.00 0.00 +0.000 A ATOM 36 C LIG 1 3.505 4.043 -1.079 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.355 3.234 0.048 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 7