REMARK Name = BDB024222 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.498 -0.628 -0.309 0.00 0.00 -0.269 N ATOM 2 H LIG 1 -0.863 -0.821 -1.229 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -1.359 -0.777 0.769 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -1.057 -0.728 1.961 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 3.604 0.289 -0.153 0.00 0.00 +0.049 A ATOM 6 C LIG 1 2.760 0.270 0.961 0.00 0.00 +0.136 A ATOM 7 N LIG 1 1.436 -0.032 0.950 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 0.864 -0.320 -0.224 0.00 0.00 +0.125 A ATOM 9 C LIG 1 1.593 -0.299 -1.404 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.958 0.009 -1.362 0.00 0.00 +0.028 A BRANCH 5 16 ATOM 11 C LIG 1 10.141 1.419 -0.691 0.00 0.00 +0.088 C ATOM 12 C LIG 1 9.008 1.538 0.251 0.00 0.00 +0.130 A ATOM 13 N LIG 1 7.734 1.125 -0.008 0.00 0.00 -0.312 N ATOM 14 C LIG 1 7.189 0.501 -1.191 0.00 0.00 +0.143 C ATOM 15 C LIG 1 5.889 -0.253 -0.877 0.00 0.00 +0.127 C ATOM 16 N LIG 1 4.963 0.617 -0.118 0.00 0.00 -0.320 N ATOM 17 C LIG 1 5.534 1.104 1.169 0.00 0.00 +0.181 C ATOM 18 C LIG 1 6.987 1.433 1.095 0.00 0.00 +0.151 A ATOM 19 N LIG 1 7.768 1.986 1.996 0.00 0.00 -0.133 NA ATOM 20 N LIG 1 9.038 2.053 1.464 0.00 0.00 -0.135 NA ENDBRANCH 5 16 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.826 -1.075 0.315 0.00 0.00 +0.171 C BRANCH 21 22 ATOM 22 C LIG 1 -2.968 -2.545 -0.053 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -3.471 -2.910 -1.313 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -3.607 -4.255 -1.661 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.244 -5.251 -0.756 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.748 -4.904 0.499 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.613 -3.560 0.850 0.00 0.00 +0.005 A ENDBRANCH 21 22 BRANCH 21 28 ATOM 28 N LIG 1 -3.751 -0.623 1.376 0.00 0.00 -0.302 NA ATOM 29 H LIG 1 -3.433 -1.029 2.259 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.171 -0.899 1.164 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -5.828 -0.143 -0.006 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -6.119 1.315 0.277 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -7.444 1.760 0.394 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.723 3.106 0.647 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.679 4.024 0.787 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -5.356 3.590 0.672 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.080 2.244 0.416 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -6.965 5.405 1.046 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -7.201 6.523 1.249 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 28 ENDBRANCH 3 21 TORSDOF 9