REMARK Name = BDB000026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.069 0.856 -2.416 0.00 0.00 +0.060 A ATOM 2 C LIG 1 2.719 0.713 -1.988 0.00 0.00 +0.026 A ATOM 3 C LIG 1 1.934 1.879 -1.882 0.00 0.00 +0.077 A ATOM 4 C LIG 1 0.617 1.776 -1.460 0.00 0.00 +0.077 A ATOM 5 C LIG 1 0.039 0.545 -1.134 0.00 0.00 +0.164 A ATOM 6 C LIG 1 0.803 -0.626 -1.244 0.00 0.00 +0.162 A ATOM 7 N LIG 1 2.412 3.100 -2.172 0.00 0.00 -0.253 NA ATOM 8 C LIG 1 3.696 3.209 -2.580 0.00 0.00 +0.132 A ATOM 9 C LIG 1 2.128 -0.535 -1.676 0.00 0.00 +0.061 A ATOM 10 C LIG 1 4.558 2.137 -2.712 0.00 0.00 +0.091 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 4.929 -0.280 -2.464 0.00 0.00 -0.312 N ATOM 12 H LIG 1 5.539 -0.275 -3.288 0.00 0.00 +0.152 HD BRANCH 11 19 ATOM 13 C LIG 1 5.992 -1.141 1.041 0.00 0.00 +0.140 A ATOM 14 C LIG 1 7.045 -2.029 0.766 0.00 0.00 +0.084 A ATOM 15 CL LIG 1 7.932 -2.796 2.037 0.00 0.00 -0.080 Cl ATOM 16 C LIG 1 7.402 -2.328 -0.548 0.00 0.00 +0.045 A ATOM 17 C LIG 1 6.709 -1.734 -1.600 0.00 0.00 +0.064 A ATOM 18 CL LIG 1 7.173 -2.137 -3.218 0.00 0.00 -0.082 Cl ATOM 19 C LIG 1 5.666 -0.816 -1.363 0.00 0.00 +0.053 A ATOM 20 C LIG 1 5.311 -0.546 -0.030 0.00 0.00 +0.071 A BRANCH 13 22 ATOM 21 C LIG 1 4.579 -0.104 2.671 0.00 0.00 +0.277 C ATOM 22 O LIG 1 5.702 -0.920 2.362 0.00 0.00 -0.494 OA ENDBRANCH 13 22 ENDBRANCH 11 19 ENDBRANCH 1 11 BRANCH 6 23 ATOM 23 O LIG 1 0.171 -1.797 -0.911 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 0.927 -2.998 -0.968 0.00 0.00 +0.277 C ENDBRANCH 6 23 BRANCH 10 25 ATOM 25 C LIG 1 5.903 2.371 -3.131 0.00 0.00 +0.103 C ATOM 26 N LIG 1 6.994 2.550 -3.481 0.00 0.00 -0.191 NA ENDBRANCH 10 25 BRANCH 5 27 ATOM 27 O LIG 1 -1.254 0.382 -0.706 0.00 0.00 -0.488 OA BRANCH 27 28 ATOM 28 C LIG 1 -2.052 1.548 -0.517 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 C LIG 1 -3.425 1.125 0.008 0.00 0.00 +0.056 C BRANCH 29 30 ATOM 30 C LIG 1 -3.320 0.471 1.395 0.00 0.00 +0.088 C BRANCH 30 31 ATOM 31 N LIG 1 -4.585 0.075 2.021 0.00 0.00 -0.300 NA ATOM 32 C LIG 1 -5.223 -1.086 1.380 0.00 0.00 +0.100 C ATOM 33 C LIG 1 -6.682 -1.287 1.851 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -7.573 -0.139 1.583 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 -8.441 -0.377 0.434 0.00 0.00 +0.105 C ATOM 36 C LIG 1 -6.810 1.114 1.411 0.00 0.00 +0.099 C ATOM 37 C LIG 1 -5.530 1.173 2.276 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10