REMARK Name = BDB010289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.782 -2.330 1.588 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.087 -1.308 1.690 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -0.476 0.069 1.885 0.00 0.00 +0.265 A ATOM 4 O LIG 1 0.331 0.989 2.024 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -1.854 0.177 1.842 0.00 0.00 -0.232 N ATOM 6 C LIG 1 -2.618 -0.972 1.800 0.00 0.00 +0.123 A ATOM 7 N LIG 1 -2.136 -2.167 1.685 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.441 1.472 1.813 0.00 0.00 +0.239 A ATOM 9 N LIG 1 -1.800 2.511 2.373 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -2.366 3.735 2.284 0.00 0.00 +0.161 A ATOM 11 C LIG 1 -3.559 3.994 1.653 0.00 0.00 +0.157 A ATOM 12 C LIG 1 -4.157 2.876 1.128 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -3.628 1.631 1.193 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 -4.002 5.276 1.638 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.054 5.610 0.732 0.00 0.00 +0.226 C ATOM 16 C LIG 1 -6.404 5.519 1.421 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 -4.101 -0.935 1.954 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.729 -0.471 3.253 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -4.800 -1.918 2.872 0.00 0.00 +0.012 C ENDBRANCH 6 17 BRANCH 1 20 ATOM 20 C LIG 1 -0.379 -3.782 1.377 0.00 0.00 +0.056 C BRANCH 20 22 ATOM 21 C LIG 1 -0.486 -5.781 -0.163 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -0.996 -4.372 0.103 0.00 0.00 +0.003 C ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 2 23 ATOM 23 C LIG 1 1.594 -1.393 1.656 0.00 0.00 +0.079 C BRANCH 23 24 ATOM 24 C LIG 1 2.196 -0.995 0.331 0.00 0.00 -0.025 A ATOM 25 C LIG 1 2.809 0.243 0.166 0.00 0.00 +0.115 A ATOM 26 N LIG 1 3.401 0.657 -0.984 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 3.332 -0.178 -2.051 0.00 0.00 +0.072 A ATOM 28 C LIG 1 2.725 -1.429 -1.985 0.00 0.00 +0.028 A ATOM 29 C LIG 1 2.161 -1.841 -0.780 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 C LIG 1 3.957 0.312 -3.284 0.00 0.00 +0.011 A ATOM 31 C LIG 1 5.353 0.328 -3.491 0.00 0.00 +0.030 A ATOM 32 C LIG 1 5.881 0.724 -4.732 0.00 0.00 +0.012 A ATOM 33 C LIG 1 5.037 1.134 -5.762 0.00 0.00 +0.001 A ATOM 34 C LIG 1 3.660 1.150 -5.564 0.00 0.00 +0.001 A ATOM 35 C LIG 1 3.126 0.742 -4.340 0.00 0.00 +0.011 A BRANCH 31 36 ATOM 36 C LIG 1 6.328 -0.087 -2.468 0.00 0.00 +0.183 A ATOM 37 N LIG 1 6.142 0.195 -1.175 0.00 0.00 -0.271 N ATOM 38 H LIG 1 5.335 0.631 -0.748 0.00 0.00 +0.174 HD ATOM 39 C LIG 1 7.169 -0.346 -0.507 0.00 0.00 +0.440 A ATOM 40 O LIG 1 7.322 -0.357 0.704 0.00 0.00 -0.221 OA ATOM 41 O LIG 1 8.027 -0.912 -1.417 0.00 0.00 -0.295 OA ATOM 42 N LIG 1 7.429 -0.722 -2.704 0.00 0.00 -0.054 NA ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 10