REMARK Name = BDB008734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.765 -0.883 0.956 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.642 -0.768 0.222 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 0.223 0.209 0.562 0.00 0.00 +0.116 A ATOM 4 C LIG 1 0.015 1.100 1.599 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.157 0.987 2.351 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.045 -0.047 2.029 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.408 1.893 3.465 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.514 2.726 3.614 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.611 3.517 4.752 0.00 0.00 +0.112 A ATOM 10 C LIG 1 -3.815 4.228 4.611 0.00 0.00 +0.162 A ATOM 11 N LIG 1 -4.446 3.938 3.470 0.00 0.00 -0.177 NA ATOM 12 N LIG 1 -1.686 3.540 5.734 0.00 0.00 -0.232 NA ATOM 13 C LIG 1 -0.648 2.732 5.497 0.00 0.00 +0.222 A ATOM 14 N LIG 1 -3.630 3.034 2.877 0.00 0.00 -0.263 N ATOM 15 C LIG 1 -3.999 2.557 1.564 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -0.457 1.932 4.433 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 -3.900 -2.179 0.929 0.00 0.00 +0.235 C ATOM 18 N LIG 1 -2.606 -1.911 0.542 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -2.267 -2.444 -0.255 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 -4.556 -1.524 1.734 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.442 -3.467 0.254 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -5.968 -3.503 0.313 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -3.980 -4.873 -1.690 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.928 -3.525 -1.138 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -4.487 -2.900 -1.722 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 3 26 ATOM 26 C LIG 1 1.398 0.275 -0.244 0.00 0.00 -0.041 C ATOM 27 C LIG 1 2.387 0.334 -0.923 0.00 0.00 -0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.566 0.406 -1.729 0.00 0.00 +0.026 A ATOM 29 C LIG 1 4.804 0.051 -1.190 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.974 0.118 -1.967 0.00 0.00 -0.014 A ATOM 31 C LIG 1 5.904 0.549 -3.311 0.00 0.00 +0.003 A ATOM 32 C LIG 1 7.117 0.595 -4.037 0.00 0.00 +0.046 A ATOM 33 N LIG 1 8.318 0.248 -3.505 0.00 0.00 -0.260 NA ATOM 34 C LIG 1 8.338 -0.157 -2.222 0.00 0.00 +0.111 A ATOM 35 C LIG 1 7.160 1.038 -5.473 0.00 0.00 +0.066 C ATOM 36 C LIG 1 4.639 0.902 -3.835 0.00 0.00 +0.011 A ATOM 37 C LIG 1 7.212 -0.238 -1.424 0.00 0.00 +0.028 A ATOM 38 C LIG 1 3.483 0.831 -3.052 0.00 0.00 +0.017 A ENDBRANCH 27 28 ENDBRANCH 3 26 TORSDOF 6