REMARK Name = BDB008274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.065 -1.160 0.176 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.184 -1.657 0.269 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.238 -0.886 -0.045 0.00 0.00 +0.128 A ATOM 4 C LIG 1 1.085 0.422 -0.470 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.204 0.949 -0.576 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.296 0.135 -0.244 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.413 2.338 -1.028 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -0.428 3.416 -0.085 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -0.630 4.741 -0.533 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -0.655 5.803 0.291 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -0.481 5.593 1.612 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -0.277 4.348 2.165 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -0.814 4.968 -1.885 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -0.805 3.930 -2.816 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -0.250 3.254 1.308 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -0.605 2.610 -2.404 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -0.606 1.518 -3.442 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -3.368 -2.155 0.680 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.019 -2.105 0.538 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -1.575 -2.987 0.772 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -3.862 -3.240 1.020 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.282 -0.945 0.422 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.585 -0.853 -1.072 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -5.442 -0.851 2.564 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -5.577 -1.107 1.134 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -5.859 -2.086 1.015 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.535 -1.385 0.048 0.00 0.00 -0.265 N ATOM 28 H LIG 1 3.316 -0.785 -0.198 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.893 -2.651 0.449 0.00 0.00 +0.269 C ATOM 30 O LIG 1 2.159 -3.567 0.798 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 4.353 -2.800 0.413 0.00 0.00 +0.143 A ATOM 32 N LIG 1 5.205 -1.771 0.021 0.00 0.00 -0.231 NA ATOM 33 C LIG 1 6.417 -2.272 0.116 0.00 0.00 +0.199 A ATOM 34 N LIG 1 6.391 -3.567 0.548 0.00 0.00 -0.339 N ATOM 35 C LIG 1 7.546 -4.402 0.758 0.00 0.00 +0.150 C ATOM 36 C LIG 1 5.089 -3.921 0.742 0.00 0.00 +0.119 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6