REMARK Name = BDB024785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.261 -3.384 -1.063 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.918 -2.240 -0.322 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.036 -1.488 0.286 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.651 -2.260 1.466 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.677 -0.078 0.781 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.684 0.583 -0.152 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.455 -0.279 -0.179 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.156 0.267 -0.151 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.768 1.583 -0.099 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.450 1.583 -0.078 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.031 0.291 -0.125 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.046 -0.568 -0.170 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.158 -1.959 -0.211 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.453 -2.493 -0.258 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.598 -1.682 -0.263 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.398 -3.849 -1.103 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.609 -5.026 -2.613 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.244 -3.903 -1.810 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.423 -0.123 -0.138 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 1.991 -0.265 1.279 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 3.421 -0.577 1.333 0.00 0.00 -0.310 NA ATOM 22 H LIG 1 3.962 0.073 0.762 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 3.727 -1.951 0.942 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 C LIG 1 5.198 -2.147 1.049 0.00 0.00 +0.004 A ATOM 25 C LIG 1 6.013 -1.996 2.155 0.00 0.00 +0.112 A ATOM 26 N LIG 1 7.279 -2.296 1.750 0.00 0.00 -0.274 N ATOM 27 C LIG 1 8.479 -2.273 2.548 0.00 0.00 +0.172 C ATOM 28 N LIG 1 7.352 -2.648 0.454 0.00 0.00 -0.180 NA ATOM 29 C LIG 1 6.088 -2.563 0.032 0.00 0.00 +0.139 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.394 2.816 -0.002 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -0.010 3.828 -1.080 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 0.974 4.906 -1.214 0.00 0.00 -0.315 N ATOM 33 C LIG 1 0.945 5.951 -0.287 0.00 0.00 +0.251 A ATOM 34 O LIG 1 0.150 6.040 0.644 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 1.976 7.010 -0.469 0.00 0.00 +0.070 A ATOM 36 C LIG 1 2.871 6.919 -1.460 0.00 0.00 +0.007 A ATOM 37 C LIG 1 2.850 5.796 -2.362 0.00 0.00 +0.018 A ATOM 38 C LIG 1 1.924 4.840 -2.220 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9