REMARK Name = BDB001160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.675 -1.292 -1.418 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.832 -2.362 -1.227 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.145 -2.594 -0.161 0.00 0.00 +0.099 C ATOM 4 C LIG 1 0.283 -4.117 -0.155 0.00 0.00 +0.013 C ATOM 5 C LIG 1 1.644 -4.375 0.452 0.00 0.00 +0.007 C ATOM 6 C LIG 1 2.521 -3.222 -0.019 0.00 0.00 +0.024 C ATOM 7 C LIG 1 0.144 -4.487 -1.634 0.00 0.00 +0.024 C ATOM 8 C LIG 1 1.583 -2.076 -0.467 0.00 0.00 +0.095 C ATOM 9 C LIG 1 -0.898 -3.498 -2.137 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -2.355 -1.194 -2.447 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 1.879 -0.811 0.194 0.00 0.00 -0.294 N ATOM 12 H LIG 1 1.209 -0.062 0.011 0.00 0.00 +0.151 HD ATOM 13 C LIG 1 3.139 -0.253 0.118 0.00 0.00 +0.307 C ATOM 14 N LIG 1 3.269 0.999 0.732 0.00 0.00 -0.259 N ATOM 15 C LIG 1 4.413 1.806 0.324 0.00 0.00 +0.140 C ATOM 16 O LIG 1 4.052 -0.801 -0.498 0.00 0.00 -0.252 OA BRANCH 14 17 ATOM 17 C LIG 1 2.399 1.538 1.741 0.00 0.00 +0.037 A ATOM 18 C LIG 1 2.277 2.926 1.917 0.00 0.00 +0.023 A ATOM 19 C LIG 1 1.440 3.462 2.902 0.00 0.00 +0.002 A ATOM 20 C LIG 1 0.719 2.619 3.741 0.00 0.00 +0.000 A ATOM 21 C LIG 1 0.845 1.241 3.603 0.00 0.00 +0.002 A ATOM 22 C LIG 1 1.682 0.708 2.616 0.00 0.00 +0.023 A ENDBRANCH 14 17 ENDBRANCH 8 11 BRANCH 1 23 ATOM 23 C LIG 1 -1.807 -0.220 -0.308 0.00 0.00 +0.164 C BRANCH 23 25 ATOM 24 C LIG 1 -0.668 1.694 -1.353 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.847 1.059 -1.026 0.00 0.00 -0.302 N ATOM 26 H LIG 1 -2.589 1.137 -1.714 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 0.422 1.322 -0.923 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -0.830 2.888 -2.316 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -0.812 2.368 -3.750 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 0.104 4.636 -0.916 0.00 0.00 +0.101 C ATOM 31 N LIG 1 0.275 3.854 -2.135 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 1.139 3.308 -2.050 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 23 25 BRANCH 23 33 ATOM 33 C LIG 1 -3.065 -0.413 0.601 0.00 0.00 -0.011 C ATOM 34 C LIG 1 -4.388 -0.390 -0.190 0.00 0.00 +0.013 C ATOM 35 C LIG 1 -3.109 0.723 1.647 0.00 0.00 +0.013 C ATOM 36 C LIG 1 -2.988 -1.747 1.368 0.00 0.00 +0.013 C ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 7