REMARK Name = BDB024786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.873 -3.780 -0.940 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.734 -2.529 -0.311 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.938 -1.789 0.141 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.602 -2.484 1.344 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.690 -0.326 0.543 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.694 0.324 -0.390 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.414 -0.452 -0.289 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.159 0.190 -0.268 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.868 1.533 -0.300 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.555 1.628 -0.268 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.018 0.376 -0.206 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.992 -0.560 -0.207 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.001 -1.954 -0.166 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.253 -2.583 -0.195 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.457 -1.865 -0.262 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.967 -4.471 -1.395 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.383 -5.414 -1.707 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.182 -4.164 -1.047 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.437 0.071 -0.136 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.047 -0.137 -1.529 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 3.495 -0.359 -1.510 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 3.951 0.263 -0.836 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 3.850 -1.733 -1.134 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 5.287 -1.747 -0.706 0.00 0.00 +0.077 A ATOM 25 N LIG 1 5.684 -1.035 0.365 0.00 0.00 -0.175 NA ATOM 26 N LIG 1 7.006 -1.280 0.441 0.00 0.00 -0.274 N ATOM 27 C LIG 1 7.783 -0.667 1.491 0.00 0.00 +0.172 C ATOM 28 C LIG 1 7.462 -2.117 -0.533 0.00 0.00 +0.108 A ATOM 29 C LIG 1 6.368 -2.438 -1.300 0.00 0.00 +0.045 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.208 2.913 -0.290 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 0.347 3.494 1.119 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 1.328 4.581 1.170 0.00 0.00 -0.315 N ATOM 33 C LIG 1 0.925 5.859 0.778 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -0.205 6.153 0.400 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 1.973 6.915 0.830 0.00 0.00 +0.070 A ATOM 36 C LIG 1 3.220 6.612 1.211 0.00 0.00 +0.007 A ATOM 37 C LIG 1 3.564 5.263 1.577 0.00 0.00 +0.018 A ATOM 38 C LIG 1 2.632 4.303 1.547 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9