REMARK Name = BDB010772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.818 0.155 0.022 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -1.494 -1.053 -0.057 0.00 0.00 +0.114 A ATOM 3 C LIG 1 -2.592 -0.775 -0.857 0.00 0.00 +0.182 A ATOM 4 N LIG 1 -3.507 -1.676 -1.243 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -3.262 -2.903 -0.779 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -2.240 -3.279 0.018 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -2.644 0.537 -1.193 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -1.338 -2.354 0.415 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -1.589 1.100 -0.641 0.00 0.00 +0.123 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.210 -3.967 -1.169 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -5.243 -3.582 -1.962 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.945 -4.728 -2.167 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -6.960 -4.838 -2.830 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -5.284 -5.711 -1.486 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -5.560 -6.683 -1.443 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -4.183 -5.229 -0.853 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.315 -2.829 1.328 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -0.315 -2.483 2.687 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.683 -2.971 3.525 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 0.713 -2.538 5.185 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 1.653 -3.801 2.988 0.00 0.00 +0.130 A ATOM 22 N LIG 1 1.682 -4.174 1.687 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.689 -3.697 0.897 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 -1.341 2.690 -0.807 0.00 0.00 +0.054 C ATOM 25 C LIG 1 -2.550 3.412 -1.529 0.00 0.00 +0.019 C ATOM 26 C LIG 1 -1.863 3.146 -2.876 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -0.533 3.024 -2.112 0.00 0.00 +0.019 C BRANCH 24 28 ATOM 28 C LIG 1 -0.941 3.369 0.590 0.00 0.00 -0.034 A ATOM 29 C LIG 1 0.288 4.024 0.808 0.00 0.00 +0.004 A ATOM 30 C LIG 1 0.615 4.603 2.039 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -0.288 4.549 3.095 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.516 3.924 2.918 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -1.834 3.349 1.685 0.00 0.00 +0.004 A ENDBRANCH 24 28 ENDBRANCH 9 24 BRANCH 1 34 ATOM 34 C LIG 1 0.449 0.391 0.693 0.00 0.00 +0.127 C BRANCH 34 39 ATOM 35 C LIG 1 5.339 -0.544 -1.743 0.00 0.00 +0.007 C ATOM 36 C LIG 1 4.452 -0.480 -0.498 0.00 0.00 -0.014 C ATOM 37 C LIG 1 3.164 -1.302 -0.680 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.000 -0.453 -1.183 0.00 0.00 +0.005 C ATOM 39 C LIG 1 1.650 0.701 -0.220 0.00 0.00 +0.009 C ATOM 40 C LIG 1 2.858 1.113 0.648 0.00 0.00 +0.005 C ATOM 41 C LIG 1 4.165 0.984 -0.124 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 6