REMARK Name = BDB056706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.818 0.519 -2.826 0.00 0.00 +0.234 C ATOM 2 N LIG 1 2.082 1.057 -2.624 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.712 1.634 -1.507 0.00 0.00 +0.062 A ATOM 4 C LIG 1 4.024 1.955 -1.813 0.00 0.00 +0.092 A ATOM 5 N LIG 1 4.884 2.512 -0.943 0.00 0.00 -0.152 NA ATOM 6 N LIG 1 4.437 2.789 0.307 0.00 0.00 -0.154 NA ATOM 7 C LIG 1 3.154 2.507 0.654 0.00 0.00 +0.070 A ATOM 8 C LIG 1 4.390 1.594 -3.231 0.00 0.00 +0.027 C ATOM 9 C LIG 1 5.455 0.494 -3.252 0.00 0.00 +0.019 C ATOM 10 C LIG 1 4.862 2.821 -4.015 0.00 0.00 +0.019 C ATOM 11 C LIG 1 2.254 1.929 -0.243 0.00 0.00 +0.050 A ATOM 12 C LIG 1 3.032 1.077 -3.754 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.495 0.143 -3.958 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.124 0.391 -1.615 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -4.034 2.332 -2.842 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -3.004 1.636 -1.951 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.672 1.177 -0.717 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -4.460 0.585 -0.990 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -2.761 0.341 0.088 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.123 -0.824 -0.719 0.00 0.00 +0.088 C ATOM 21 N LIG 1 -1.376 -0.341 -1.922 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -2.307 0.485 -2.735 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -1.296 -1.756 0.207 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 N LIG 1 -2.074 -2.427 1.241 0.00 0.00 -0.292 N ATOM 25 C LIG 1 -3.088 -3.340 0.987 0.00 0.00 +0.247 C ATOM 26 O LIG 1 -3.615 -3.614 -0.074 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -3.431 -3.957 2.274 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -2.569 -3.447 3.243 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -2.665 -3.870 4.557 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.647 -4.816 4.873 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.511 -5.324 3.883 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.407 -4.893 2.560 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -1.622 -2.479 2.623 0.00 0.00 +0.144 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 34 ATOM 34 C LIG 1 2.733 2.894 2.052 0.00 0.00 +0.092 C BRANCH 34 35 ATOM 35 C LIG 1 2.060 1.787 2.838 0.00 0.00 -0.041 A ATOM 36 C LIG 1 0.721 1.916 3.243 0.00 0.00 +0.007 A ATOM 37 C LIG 1 0.102 0.895 3.966 0.00 0.00 +0.038 A ATOM 38 C LIG 1 0.820 -0.253 4.283 0.00 0.00 +0.123 A ATOM 39 F LIG 1 0.216 -1.239 4.960 0.00 0.00 -0.205 F ATOM 40 C LIG 1 2.146 -0.400 3.894 0.00 0.00 +0.038 A ATOM 41 C LIG 1 2.768 0.621 3.174 0.00 0.00 +0.007 A ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 6