REMARK Name = BDB021535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.587 2.836 -0.141 0.00 0.00 +0.129 C ATOM 2 N LIG 1 0.854 1.782 0.844 0.00 0.00 -0.331 N ATOM 3 C LIG 1 1.159 0.541 0.269 0.00 0.00 +0.045 A ATOM 4 C LIG 1 0.329 -0.595 0.206 0.00 0.00 +0.058 A ATOM 5 C LIG 1 0.859 -1.757 -0.412 0.00 0.00 +0.018 A ATOM 6 C LIG 1 2.149 -1.808 -0.945 0.00 0.00 +0.046 A ATOM 7 C LIG 1 2.966 -0.694 -0.888 0.00 0.00 +0.123 A ATOM 8 C LIG 1 -1.088 -0.773 0.690 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -1.681 -1.793 0.311 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -1.744 0.089 1.577 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -1.417 1.494 1.769 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.467 0.459 -0.290 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.046 1.769 2.053 0.00 0.00 +0.123 C ENDROOT BRANCH 7 14 ATOM 14 O LIG 1 4.211 -0.867 -1.419 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 5.097 0.259 -1.511 0.00 0.00 +0.176 C ATOM 16 C LIG 1 5.800 0.514 -0.169 0.00 0.00 +0.060 C ATOM 17 C LIG 1 7.327 0.504 -0.284 0.00 0.00 +0.088 C ATOM 18 N LIG 1 7.755 -0.767 -0.853 0.00 0.00 -0.299 NA ATOM 19 C LIG 1 7.169 -1.054 -2.169 0.00 0.00 +0.088 C ATOM 20 C LIG 1 6.104 -0.052 -2.621 0.00 0.00 +0.060 C BRANCH 18 21 ATOM 21 C LIG 1 9.183 -1.103 -0.839 0.00 0.00 +0.057 C ATOM 22 C LIG 1 9.786 -1.130 0.583 0.00 0.00 +0.019 C ATOM 23 C LIG 1 11.051 -0.491 -0.040 0.00 0.00 +0.003 C ATOM 24 C LIG 1 10.135 0.072 -1.153 0.00 0.00 +0.019 C ENDBRANCH 18 21 ENDBRANCH 14 15 ENDBRANCH 7 14 BRANCH 10 25 ATOM 25 C LIG 1 -3.109 -0.304 1.977 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 -4.207 0.205 1.013 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -4.375 1.619 1.240 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -4.879 1.728 2.065 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -5.538 -0.550 1.275 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -6.591 -0.431 0.240 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -7.771 -1.221 0.657 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -8.996 -1.051 -0.215 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -9.114 0.038 -1.092 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -10.275 0.191 -1.862 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -11.328 -0.716 -1.737 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -11.225 -1.784 -0.850 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.964 0.997 -1.248 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -10.065 -1.951 -0.093 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -6.985 0.949 -0.065 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 8