REMARK Name = BDB010399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.928 -0.033 -0.040 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.749 0.714 0.022 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.811 2.101 0.070 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.425 2.668 0.153 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.263 1.663 0.118 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.948 2.808 0.044 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.025 2.030 -0.056 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.607 0.453 0.034 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -3.074 0.676 -0.100 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.337 2.711 -0.138 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.446 1.978 -0.328 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.501 0.980 -0.435 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.478 2.829 -0.364 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.649 2.526 -0.523 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.996 4.103 -0.193 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.575 3.980 -0.048 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.620 1.743 0.188 0.00 0.00 -0.298 N ATOM 18 C LIG 1 3.112 2.156 1.534 0.00 0.00 +0.142 C ATOM 19 C LIG 1 3.571 3.612 1.363 0.00 0.00 +0.080 C ATOM 20 C LIG 1 4.559 4.054 2.431 0.00 0.00 +0.043 C ATOM 21 C LIG 1 4.178 3.579 -0.030 0.00 0.00 +0.055 C ATOM 22 C LIG 1 3.212 2.686 -0.803 0.00 0.00 +0.111 C BRANCH 19 23 ATOM 23 O LIG 1 2.461 4.514 1.391 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 1.704 4.076 0.944 0.00 0.00 +0.210 HD ENDBRANCH 19 23 ENDBRANCH 5 17 BRANCH 1 25 ATOM 25 N LIG 1 -1.954 -1.415 -0.070 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.129 -1.843 0.324 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 -4.193 -2.058 -0.932 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -3.159 -2.213 0.178 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 -3.706 -2.040 1.599 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.772 -3.065 2.087 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.322 -1.947 2.995 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.740 -0.940 1.982 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 1.260 -0.846 -0.009 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 1.220 -1.519 -1.399 0.00 0.00 +0.009 C ATOM 35 C LIG 1 1.479 -3.038 -1.290 0.00 0.00 +0.005 C ATOM 36 C LIG 1 2.857 -3.487 -1.784 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.942 -2.473 -1.426 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.329 -2.987 -1.808 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.664 -1.110 -2.080 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.186 -0.867 -2.398 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8