REMARK Name = BDB024413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.545 -1.778 1.248 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.498 -3.049 0.454 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.950 -4.301 0.834 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -2.695 -5.140 -0.209 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -3.014 -6.545 -0.295 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -2.068 -4.538 -1.234 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -1.983 -3.264 -0.850 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.322 -0.838 1.065 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.112 -1.506 0.957 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.114 -2.512 1.048 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.462 0.383 1.109 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.130 -0.905 0.719 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.232 0.416 0.529 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 2.468 0.930 0.295 0.00 0.00 +0.136 A ATOM 15 C LIG 1 3.658 0.201 0.238 0.00 0.00 +0.049 A ATOM 16 C LIG 1 3.500 -1.177 0.420 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.241 -1.735 0.664 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 4.924 0.749 -0.018 0.00 0.00 -0.318 N ATOM 19 C LIG 1 5.950 0.392 1.001 0.00 0.00 +0.201 C ATOM 20 C LIG 1 7.341 1.029 0.797 0.00 0.00 +0.233 C ATOM 21 O LIG 1 8.316 0.574 1.402 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 7.437 2.159 -0.012 0.00 0.00 -0.302 N ATOM 23 C LIG 1 8.755 2.705 -0.281 0.00 0.00 +0.132 C ATOM 24 C LIG 1 6.394 2.435 -0.990 0.00 0.00 +0.126 C ATOM 25 C LIG 1 4.991 2.151 -0.451 0.00 0.00 +0.124 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.841 -1.069 1.107 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.700 -0.126 1.488 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.417 -0.937 -0.238 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -4.373 0.027 -2.572 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.848 0.191 -1.138 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.168 1.594 -0.635 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.486 2.017 -0.403 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.752 3.314 0.048 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.704 4.210 0.269 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -3.389 3.804 0.034 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -3.126 2.509 -0.419 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -4.976 5.538 0.733 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -5.202 6.615 1.105 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9