REMARK Name = BDB010573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.326 -1.214 0.428 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.580 -0.241 -0.212 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.012 0.982 0.251 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -1.922 0.654 1.246 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -2.558 1.547 2.019 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -2.226 2.812 1.739 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -1.373 3.237 0.784 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -0.758 2.324 -0.003 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -2.109 -0.691 1.338 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.862 3.864 2.558 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -3.731 3.433 3.510 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -4.162 4.576 4.105 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -4.960 4.650 5.021 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -3.522 5.604 3.471 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -3.635 6.586 3.685 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -2.698 5.154 2.490 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 0.086 2.858 -1.063 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -0.281 2.733 -2.413 0.00 0.00 +0.030 A ATOM 19 C LIG 1 0.532 3.257 -3.418 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 0.076 3.065 -5.066 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 1.710 3.927 -3.100 0.00 0.00 +0.020 A ATOM 22 C LIG 1 2.074 4.084 -1.764 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.264 3.559 -0.754 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -2.317 -3.243 -0.513 0.00 0.00 +0.102 C ATOM 25 N LIG 1 -1.161 -2.533 0.134 0.00 0.00 -0.294 N ATOM 26 C LIG 1 -0.685 -3.339 1.300 0.00 0.00 +0.136 C ATOM 27 C LIG 1 -1.828 -3.734 2.251 0.00 0.00 +0.179 C ATOM 28 O LIG 1 -2.871 -4.435 1.557 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 -3.412 -3.604 0.514 0.00 0.00 +0.182 C BRANCH 24 31 ATOM 30 C LIG 1 -3.918 -1.501 -1.616 0.00 0.00 +0.006 C ATOM 31 C LIG 1 -2.840 -2.562 -1.793 0.00 0.00 +0.021 C ENDBRANCH 24 31 ENDBRANCH 1 25 BRANCH 2 32 ATOM 32 C LIG 1 0.484 -0.521 -1.161 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 1.800 -1.006 -0.522 0.00 0.00 +0.009 C ATOM 34 C LIG 1 2.452 0.070 0.360 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.785 -0.403 0.939 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.753 -0.851 -0.161 0.00 0.00 -0.014 C ATOM 37 C LIG 1 6.058 -1.365 0.444 0.00 0.00 +0.007 C ATOM 38 C LIG 1 4.109 -1.924 -1.047 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.775 -1.452 -1.623 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 6