REMARK Name = BDB010326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.627 -1.528 0.584 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.705 -0.592 0.150 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.496 -0.874 0.765 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.178 -1.890 1.651 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.045 -2.436 2.519 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.258 -1.873 2.436 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.664 -0.894 1.606 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.793 -0.369 0.722 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.122 -2.275 1.537 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.268 -2.421 3.369 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.910 -3.392 4.226 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.000 -3.815 4.318 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.998 -3.702 4.941 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.063 -4.545 5.821 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.036 -2.909 4.518 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.511 -2.076 3.476 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -3.181 -2.101 -1.242 0.00 0.00 +0.076 C ATOM 18 N LIG 1 -2.894 -1.569 0.104 0.00 0.00 -0.298 N ATOM 19 C LIG 1 -3.957 -1.984 1.036 0.00 0.00 +0.108 C ATOM 20 C LIG 1 -5.066 -2.567 0.160 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -4.717 -2.093 -1.241 0.00 0.00 +0.024 C BRANCH 17 23 ATOM 22 C LIG 1 -1.211 -3.544 -2.022 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -2.635 -3.525 -1.478 0.00 0.00 +0.019 C ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 24 ATOM 24 N LIG 1 2.197 0.621 -0.163 0.00 0.00 -0.324 N ATOM 25 H LIG 1 1.750 0.552 -1.067 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.627 0.943 -0.242 0.00 0.00 +0.072 C ATOM 27 C LIG 1 3.737 2.367 -0.793 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 4.379 -0.095 -1.097 0.00 0.00 +0.009 C ATOM 29 C LIG 1 4.117 -0.182 -2.624 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.459 0.532 -2.862 0.00 0.00 +0.001 C ATOM 31 C LIG 1 5.873 0.150 -1.431 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.993 0.559 -0.688 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -1.020 1.901 0.075 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -2.171 1.933 1.103 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.591 3.362 1.424 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -3.166 4.066 0.183 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -3.049 5.583 0.337 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -2.514 3.581 -1.125 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.087 3.088 -0.909 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8