REMARK Name = BDB042152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.216 -1.401 -1.620 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.556 -0.495 -2.435 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.029 0.222 -3.295 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.145 -0.521 -2.041 0.00 0.00 +0.044 A ATOM 5 C LIG 1 3.010 -1.401 -0.968 0.00 0.00 -0.018 A ATOM 6 C LIG 1 1.771 -1.605 -0.385 0.00 0.00 +0.013 A ATOM 7 C LIG 1 0.663 -0.901 -0.894 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.839 -0.023 -1.985 0.00 0.00 +0.129 A ATOM 9 F LIG 1 -0.215 0.643 -2.479 0.00 0.00 -0.205 F ATOM 10 C LIG 1 2.084 0.183 -2.571 0.00 0.00 +0.052 A ATOM 11 C LIG 1 4.334 -2.000 -0.624 0.00 0.00 +0.144 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 10.419 -2.118 0.049 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.320 -1.918 -0.461 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.523 -2.963 -0.852 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.876 -3.885 -0.632 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.206 -2.910 -1.249 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.551 -3.946 -1.343 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.671 -1.511 -1.594 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.277 -0.484 -0.636 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.794 -0.528 -0.727 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 7 21 ATOM 21 C LIG 1 -0.714 -1.102 -0.295 0.00 0.00 +0.122 C BRANCH 21 22 ATOM 22 N LIG 1 -0.739 -0.891 1.165 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -0.582 0.536 1.527 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -1.792 1.436 1.184 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.057 0.921 1.736 0.00 0.00 -0.287 NA ATOM 26 C LIG 1 -3.256 -0.493 1.397 0.00 0.00 +0.101 C ATOM 27 C LIG 1 -2.018 -1.361 1.739 0.00 0.00 +0.100 C BRANCH 25 28 ATOM 28 C LIG 1 -4.210 1.826 1.428 0.00 0.00 +0.155 C BRANCH 28 29 ATOM 29 C LIG 1 -5.508 1.472 2.174 0.00 0.00 +0.064 A ATOM 30 N LIG 1 -5.729 2.097 3.365 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -6.861 1.790 4.036 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -7.808 0.891 3.580 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -7.583 0.264 2.363 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -6.423 0.553 1.650 0.00 0.00 +0.025 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.467 2.174 -0.054 0.00 0.00 +0.064 A ATOM 36 N LIG 1 -4.361 1.200 -1.001 0.00 0.00 -0.258 NA ATOM 37 C LIG 1 -4.583 1.545 -2.288 0.00 0.00 +0.111 A ATOM 38 C LIG 1 -4.934 2.820 -2.695 0.00 0.00 +0.020 A ATOM 39 C LIG 1 -5.068 3.803 -1.724 0.00 0.00 +0.003 A ATOM 40 C LIG 1 -4.834 3.481 -0.389 0.00 0.00 +0.025 A ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 6