REMARK Name = BDB033839 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.270 -0.035 -0.206 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -1.898 -0.508 -0.017 0.00 0.00 +0.091 C ATOM 3 C LIG 1 -1.163 0.148 -1.196 0.00 0.00 -0.012 C ATOM 4 C LIG 1 0.180 -0.568 -1.459 0.00 0.00 +0.027 C ATOM 5 C LIG 1 1.192 0.357 -2.130 0.00 0.00 +0.107 C ATOM 6 N LIG 1 1.498 1.536 -1.296 0.00 0.00 -0.315 N ATOM 7 C LIG 1 0.437 1.932 -0.346 0.00 0.00 +0.107 C ATOM 8 C LIG 1 -0.937 1.669 -0.959 0.00 0.00 +0.027 C ATOM 9 C LIG 1 -2.188 -0.065 -2.328 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -3.553 -0.141 -1.637 0.00 0.00 +0.085 C ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.729 1.417 -0.597 0.00 0.00 +0.133 A ATOM 12 C LIG 1 3.543 2.550 -0.430 0.00 0.00 +0.043 A ATOM 13 C LIG 1 4.705 2.347 0.313 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.515 3.459 0.486 0.00 0.00 +0.139 A ATOM 15 N LIG 1 5.282 4.706 -0.004 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 4.160 4.860 -0.728 0.00 0.00 +0.111 A ATOM 17 N LIG 1 5.041 1.157 0.836 0.00 0.00 -0.226 NA ATOM 18 C LIG 1 4.206 0.130 0.611 0.00 0.00 +0.162 A ATOM 19 C LIG 1 3.272 3.829 -0.968 0.00 0.00 +0.033 A ATOM 20 N LIG 1 3.062 0.218 -0.086 0.00 0.00 -0.212 NA BRANCH 18 21 ATOM 21 C LIG 1 4.564 -1.184 1.176 0.00 0.00 +0.022 A ATOM 22 C LIG 1 3.734 -2.304 1.014 0.00 0.00 +0.031 A ATOM 23 C LIG 1 4.110 -3.519 1.564 0.00 0.00 +0.111 A ATOM 24 N LIG 1 5.247 -3.706 2.262 0.00 0.00 -0.263 NA ATOM 25 C LIG 1 6.043 -2.629 2.416 0.00 0.00 +0.111 A ATOM 26 C LIG 1 5.750 -1.375 1.902 0.00 0.00 +0.031 A ENDBRANCH 18 21 ENDBRANCH 6 11 BRANCH 1 28 ATOM 27 C LIG 1 -4.409 -2.180 0.704 0.00 0.00 +0.132 C ATOM 28 C LIG 1 -4.243 -0.638 0.706 0.00 0.00 +0.085 C ATOM 29 C LIG 1 -5.677 -0.139 0.505 0.00 0.00 +0.021 C ATOM 30 C LIG 1 -6.479 -1.072 1.400 0.00 0.00 +0.004 C ATOM 31 C LIG 1 -5.836 -2.443 1.204 0.00 0.00 +0.033 C BRANCH 27 32 ATOM 32 O LIG 1 -3.459 -2.824 1.548 0.00 0.00 -0.390 OA ATOM 33 H LIG 1 -3.541 -2.441 2.438 0.00 0.00 +0.210 HD ENDBRANCH 27 32 ENDBRANCH 1 28 TORSDOF 4