REMARK Name = BDB039076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.028 1.302 0.848 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.043 0.411 0.461 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.659 0.811 0.681 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.635 -0.051 -0.012 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.002 -1.206 -0.740 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.030 -1.987 -1.378 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.671 -1.667 -1.304 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.313 -0.528 -0.574 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.893 0.101 -0.309 0.00 0.00 -0.319 N ATOM 10 C LIG 1 -0.645 1.139 0.582 0.00 0.00 +0.161 A ATOM 11 N LIG 1 0.661 1.286 0.744 0.00 0.00 -0.226 NA ATOM 12 C LIG 1 4.460 -1.570 -0.876 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.261 0.258 0.070 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.293 -1.012 0.274 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.808 2.449 1.218 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.643 1.979 1.258 0.00 0.00 +0.106 A ATOM 17 N LIG 1 -2.843 1.409 1.533 0.00 0.00 -0.252 NA ATOM 18 C LIG 1 -3.741 2.165 2.206 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -3.505 3.466 2.618 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -2.269 4.031 2.333 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -1.320 3.276 1.649 0.00 0.00 +0.031 A ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.322 1.661 1.158 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.278 0.766 0.772 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.191 -0.236 -0.907 0.00 0.00 +0.091 C ATOM 25 C LIG 1 -2.138 -0.258 -2.442 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.757 -1.530 -0.292 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -4.182 -1.824 -0.700 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -4.467 -2.837 -1.624 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.784 -3.095 -2.007 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.828 -2.344 -1.470 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.556 -1.335 -0.548 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.239 -1.076 -0.164 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 5