REMARK Name = BDB005532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.202 0.234 0.046 0.00 0.00 -0.320 N ATOM 2 C LIG 1 -0.079 0.508 -0.326 0.00 0.00 +0.077 A ATOM 3 C LIG 1 -1.472 0.200 0.063 0.00 0.00 +0.161 C ATOM 4 N LIG 1 -2.217 1.149 -0.853 0.00 0.00 -0.252 N ATOM 5 C LIG 1 -1.324 1.863 -1.709 0.00 0.00 +0.272 C ATOM 6 O LIG 1 -1.563 2.705 -2.559 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 -0.007 1.421 -1.326 0.00 0.00 +0.150 A ATOM 8 N LIG 1 1.270 1.713 -1.653 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 2.012 0.944 -0.861 0.00 0.00 +0.149 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -3.604 1.329 -0.799 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.359 0.858 0.214 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.734 1.034 0.282 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.446 0.488 1.428 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.451 1.731 -0.693 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.664 1.919 -0.639 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.629 2.240 -1.834 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.433 3.068 -3.113 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.304 2.038 -1.860 0.00 0.00 +0.050 A ENDBRANCH 4 10 BRANCH 3 19 ATOM 19 C LIG 1 -1.865 -1.249 -0.183 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.325 -2.041 0.884 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.702 -3.371 0.677 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.624 -3.923 -0.598 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.085 -5.561 -0.850 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.172 -3.158 -1.669 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.794 -1.828 -1.464 0.00 0.00 +0.007 A ENDBRANCH 3 19 BRANCH 9 26 ATOM 26 C LIG 1 3.471 0.944 -0.912 0.00 0.00 +0.097 A ATOM 27 C LIG 1 4.272 -0.177 -1.040 0.00 0.00 +0.231 A ATOM 28 N LIG 1 5.620 -0.142 -1.069 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 6.180 1.072 -1.017 0.00 0.00 +0.321 A ATOM 30 N LIG 1 5.513 2.232 -0.926 0.00 0.00 -0.202 NA ATOM 31 C LIG 1 4.166 2.136 -0.893 0.00 0.00 +0.133 A BRANCH 27 32 ATOM 32 O LIG 1 3.646 -1.407 -1.123 0.00 0.00 -0.479 OA ATOM 33 C LIG 1 4.533 -2.478 -1.435 0.00 0.00 +0.279 C ENDBRANCH 27 32 BRANCH 29 34 ATOM 34 O LIG 1 7.557 1.069 -1.043 0.00 0.00 -0.466 OA ATOM 35 C LIG 1 8.114 2.375 -1.113 0.00 0.00 +0.280 C ENDBRANCH 29 34 ENDBRANCH 9 26 BRANCH 1 36 ATOM 36 C LIG 1 1.674 -0.501 1.220 0.00 0.00 +0.112 C ATOM 37 C LIG 1 1.352 -1.992 1.167 0.00 0.00 +0.033 C BRANCH 36 38 ATOM 38 C LIG 1 1.253 0.163 2.545 0.00 0.00 +0.184 C BRANCH 38 40 ATOM 39 C LIG 1 -0.485 0.475 4.109 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -0.112 -0.114 2.867 0.00 0.00 -0.381 OA ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 8