REMARK Name = BDB016686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.621 -1.041 -0.704 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -0.126 -1.864 -1.570 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.523 -1.829 -1.488 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.209 -1.029 -0.583 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -3.572 -1.304 -0.838 0.00 0.00 +0.143 A ATOM 6 N LIG 1 -3.751 -2.199 -1.813 0.00 0.00 -0.164 NA ATOM 7 C LIG 1 -1.475 -0.213 0.292 0.00 0.00 +0.013 A ATOM 8 N LIG 1 -2.494 -2.490 -2.195 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.363 -3.155 -2.949 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.074 -0.236 0.218 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.128 0.698 0.932 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.128 -0.044 0.292 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.123 0.633 -0.388 0.00 0.00 -0.007 A ATOM 14 C LIG 1 2.921 0.170 -1.163 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.132 -1.046 -0.720 0.00 0.00 +0.040 C ATOM 16 C LIG 1 2.296 1.450 -1.671 0.00 0.00 +0.228 C ATOM 17 N LIG 1 3.050 2.496 -1.165 0.00 0.00 -0.284 N ATOM 18 H LIG 1 2.847 3.461 -1.375 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 1.333 1.535 -2.415 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 2.915 -1.065 -2.016 0.00 0.00 +0.031 C ATOM 21 C LIG 1 4.136 2.036 -0.419 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.105 2.796 0.198 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.108 2.107 0.881 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 7.254 -1.239 1.737 0.00 0.00 +0.277 C ATOM 25 O LIG 1 7.179 0.178 1.640 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -4.722 -0.763 -0.196 0.00 0.00 -0.039 C ATOM 27 C LIG 1 -5.693 -0.308 0.345 0.00 0.00 -0.058 C BRANCH 27 28 ATOM 28 C LIG 1 -6.853 0.230 0.981 0.00 0.00 +0.043 A ATOM 29 C LIG 1 -6.771 0.852 2.220 0.00 0.00 +0.127 A ATOM 30 N LIG 1 -7.833 1.382 2.874 0.00 0.00 -0.262 NA ATOM 31 C LIG 1 -9.031 1.282 2.258 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -9.216 0.679 1.023 0.00 0.00 +0.021 A ATOM 33 C LIG 1 -8.104 0.145 0.375 0.00 0.00 +0.020 A ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 4