REMARK Name = BDB047114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.828 -1.698 1.237 0.00 0.00 +0.080 A ATOM 2 C LIG 1 0.868 -2.802 2.105 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.299 -3.276 2.709 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.523 -2.654 2.454 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.589 -1.552 1.592 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.415 -1.080 0.988 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.841 -0.930 1.342 0.00 0.00 -0.219 N ATOM 8 N LIG 1 -3.982 -1.377 1.920 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 -4.987 -0.616 1.511 0.00 0.00 -0.129 NA ATOM 10 C LIG 1 -4.489 0.333 0.661 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -3.129 0.151 0.539 0.00 0.00 +0.144 A BRANCH 10 12 ATOM 12 C LIG 1 -5.309 1.345 0.016 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -6.691 1.373 0.264 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -7.497 2.344 -0.350 0.00 0.00 +0.127 A ATOM 15 C LIG 1 -6.940 3.294 -1.213 0.00 0.00 +0.033 A ATOM 16 C LIG 1 -5.569 3.270 -1.461 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.761 2.304 -0.852 0.00 0.00 +0.010 A BRANCH 14 18 ATOM 18 N LIG 1 -8.941 2.365 -0.085 0.00 0.00 +0.056 N ATOM 19 O LIG 1 -9.617 3.239 -0.647 0.00 0.00 -0.126 OA ATOM 20 O LIG 1 -9.401 1.509 0.684 0.00 0.00 -0.126 OA ENDBRANCH 14 18 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 23 ATOM 21 N LIG 1 3.237 -1.726 0.789 0.00 0.00 -0.281 N ATOM 22 H LIG 1 3.200 -2.518 1.426 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 2.026 -1.114 0.539 0.00 0.00 +0.252 C ATOM 24 O LIG 1 1.852 -0.146 -0.196 0.00 0.00 -0.270 OA BRANCH 21 27 ATOM 25 C LIG 1 6.048 -0.079 -1.067 0.00 0.00 +0.061 A ATOM 26 C LIG 1 4.747 -0.340 -0.607 0.00 0.00 +0.038 A ATOM 27 C LIG 1 4.508 -1.395 0.278 0.00 0.00 +0.034 A ATOM 28 C LIG 1 5.584 -2.188 0.699 0.00 0.00 +0.023 A ATOM 29 C LIG 1 6.879 -1.936 0.246 0.00 0.00 +0.003 A ATOM 30 C LIG 1 7.112 -0.883 -0.636 0.00 0.00 +0.015 A BRANCH 25 31 ATOM 31 C LIG 1 6.356 1.032 -2.010 0.00 0.00 +0.339 C ATOM 32 O LIG 1 7.482 1.272 -2.420 0.00 0.00 -0.245 OA BRANCH 31 34 ATOM 33 C LIG 1 5.453 2.801 -3.239 0.00 0.00 +0.280 C ATOM 34 O LIG 1 5.234 1.718 -2.335 0.00 0.00 -0.464 OA ENDBRANCH 31 34 ENDBRANCH 25 31 ENDBRANCH 21 27 ENDBRANCH 1 23 BRANCH 2 35 ATOM 35 O LIG 1 2.051 -3.439 2.381 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 1.876 -4.173 2.998 0.00 0.00 +0.292 HD ENDBRANCH 2 35 TORSDOF 8