REMARK Name = BDB021775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.234 -1.600 0.383 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.213 -0.645 0.256 0.00 0.00 +0.307 C ATOM 3 N LIG 1 1.053 -1.192 0.187 0.00 0.00 -0.269 N ATOM 4 H LIG 1 1.089 -2.152 -0.122 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 -0.447 0.557 0.190 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 9 ATOM 6 N LIG 1 -4.960 0.632 0.190 0.00 0.00 -0.300 NA ATOM 7 C LIG 1 -4.610 -0.080 1.430 0.00 0.00 +0.086 C ATOM 8 C LIG 1 -3.115 -0.396 1.526 0.00 0.00 +0.038 C ATOM 9 C LIG 1 -2.652 -1.188 0.305 0.00 0.00 +0.080 C ATOM 10 C LIG 1 -3.024 -0.433 -0.974 0.00 0.00 +0.038 C ATOM 11 C LIG 1 -4.525 -0.136 -0.994 0.00 0.00 +0.086 C BRANCH 6 12 ATOM 12 C LIG 1 -6.399 0.992 0.101 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -7.003 1.540 1.408 0.00 0.00 +0.024 C BRANCH 12 14 ATOM 14 C LIG 1 -6.707 1.964 -1.072 0.00 0.00 +0.018 C BRANCH 14 16 ATOM 15 C LIG 1 -5.730 4.155 -0.127 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -5.773 3.166 -1.278 0.00 0.00 -0.002 C ENDBRANCH 14 16 ENDBRANCH 12 14 ENDBRANCH 6 12 ENDBRANCH 1 9 BRANCH 3 17 ATOM 17 C LIG 1 2.286 -0.510 0.197 0.00 0.00 +0.035 A ATOM 18 C LIG 1 3.429 -1.247 -0.129 0.00 0.00 +0.024 A ATOM 19 C LIG 1 4.692 -0.642 -0.132 0.00 0.00 +0.010 A ATOM 20 C LIG 1 4.846 0.711 0.200 0.00 0.00 -0.018 A ATOM 21 C LIG 1 3.693 1.437 0.537 0.00 0.00 +0.010 A ATOM 22 C LIG 1 2.428 0.834 0.538 0.00 0.00 +0.024 A BRANCH 20 23 ATOM 23 C LIG 1 6.171 1.350 0.196 0.00 0.00 -0.018 A ATOM 24 C LIG 1 6.994 1.305 -0.939 0.00 0.00 +0.012 A ATOM 25 C LIG 1 8.256 1.915 -0.950 0.00 0.00 +0.046 A ATOM 26 C LIG 1 8.719 2.584 0.181 0.00 0.00 +0.120 A ATOM 27 C LIG 1 7.911 2.636 1.317 0.00 0.00 +0.046 A ATOM 28 C LIG 1 6.652 2.028 1.326 0.00 0.00 +0.012 A BRANCH 26 29 ATOM 29 O LIG 1 9.924 3.219 0.305 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 10.771 3.218 -0.838 0.00 0.00 +0.277 C ENDBRANCH 26 29 ENDBRANCH 20 23 ENDBRANCH 3 17 BRANCH 1 31 ATOM 31 C LIG 1 -0.979 -2.914 0.986 0.00 0.00 +0.144 C BRANCH 31 32 ATOM 32 C LIG 1 -0.592 -4.000 0.003 0.00 0.00 -0.030 A ATOM 33 C LIG 1 0.016 -5.171 0.494 0.00 0.00 +0.005 A ATOM 34 C LIG 1 0.378 -6.206 -0.371 0.00 0.00 +0.000 A ATOM 35 C LIG 1 0.134 -6.087 -1.738 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -0.477 -4.936 -2.240 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -0.843 -3.902 -1.375 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 9