REMARK Name = BDB012183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.631 -2.053 -0.624 0.00 0.00 -0.276 OA ATOM 2 C LIG 1 -1.127 -1.269 -1.418 0.00 0.00 +0.213 C ATOM 3 N LIG 1 0.212 -1.283 -1.754 0.00 0.00 -0.312 N ATOM 4 H LIG 1 0.564 -0.555 -2.362 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.151 -2.208 -1.125 0.00 0.00 +0.073 C ATOM 6 C LIG 1 1.517 -1.745 0.290 0.00 0.00 +0.023 C ATOM 7 C LIG 1 2.282 -0.416 0.304 0.00 0.00 +0.015 C ATOM 8 C LIG 1 3.184 -0.214 -0.925 0.00 0.00 +0.077 C ATOM 9 C LIG 1 3.609 -1.550 -1.539 0.00 0.00 +0.015 C ATOM 10 C LIG 1 2.408 -2.389 -1.993 0.00 0.00 +0.023 C BRANCH 8 11 ATOM 11 C LIG 1 4.359 0.641 -0.601 0.00 0.00 +0.221 A ATOM 12 O LIG 1 5.304 0.138 0.253 0.00 0.00 -0.420 OA ATOM 13 C LIG 1 6.204 1.173 0.311 0.00 0.00 +0.248 A ATOM 14 N LIG 1 5.841 2.198 -0.434 0.00 0.00 -0.107 NA ATOM 15 N LIG 1 4.644 1.853 -1.025 0.00 0.00 -0.112 NA BRANCH 13 16 ATOM 16 C LIG 1 7.379 0.995 1.151 0.00 0.00 +0.041 A ATOM 17 C LIG 1 8.330 2.017 1.235 0.00 0.00 +0.033 A ATOM 18 C LIG 1 9.441 1.829 2.038 0.00 0.00 +0.111 A ATOM 19 N LIG 1 9.665 0.706 2.752 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 8.738 -0.270 2.661 0.00 0.00 +0.111 A ATOM 21 C LIG 1 7.595 -0.175 1.885 0.00 0.00 +0.033 A ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 2 22 ATOM 22 C LIG 1 -1.904 -0.192 -2.151 0.00 0.00 +0.096 C BRANCH 22 23 ATOM 23 C LIG 1 -3.361 -0.072 -1.706 0.00 0.00 +0.017 C BRANCH 23 24 ATOM 24 C LIG 1 -3.502 0.569 -0.323 0.00 0.00 +0.075 C BRANCH 24 25 ATOM 25 C LIG 1 -4.959 0.761 0.030 0.00 0.00 +0.110 A ATOM 26 N LIG 1 -5.590 1.809 -0.585 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -5.094 2.418 -1.219 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -6.912 2.115 -0.383 0.00 0.00 +0.259 A ATOM 29 O LIG 1 -7.451 3.063 -0.942 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 -7.633 1.231 0.547 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -6.912 0.184 1.126 0.00 0.00 +0.078 A ATOM 32 C LIG 1 -7.572 -0.670 2.011 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -8.925 -0.478 2.310 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -9.631 0.574 1.724 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.986 1.435 0.837 0.00 0.00 +0.015 A ATOM 36 N LIG 1 -5.552 -0.042 0.851 0.00 0.00 -0.234 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7