REMARK Name = BDB011572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.908 -0.389 -0.303 0.00 0.00 +0.245 C ATOM 2 N LIG 1 -0.054 -0.618 0.663 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -1.268 -1.365 0.275 0.00 0.00 +0.171 C ATOM 4 C LIG 1 -1.960 -1.800 1.573 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -1.265 -0.940 2.582 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -1.609 -0.809 3.921 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.823 0.009 4.727 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.284 0.672 4.186 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.624 0.524 2.834 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -0.152 -0.291 2.029 0.00 0.00 +0.040 A ATOM 11 O LIG 1 0.710 -0.794 -1.462 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -2.228 -0.480 -0.549 0.00 0.00 +0.235 C ATOM 13 N LIG 1 -3.202 -1.197 -1.220 0.00 0.00 -0.310 N ATOM 14 H LIG 1 -3.263 -2.198 -1.100 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -2.175 0.748 -0.574 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.294 -0.542 -1.903 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 -5.541 -0.595 -1.059 0.00 0.00 -0.030 A ATOM 18 C LIG 1 -5.716 0.315 -0.005 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -6.854 0.255 0.800 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.824 -0.717 0.565 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -7.658 -1.631 -0.474 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.520 -1.573 -1.282 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 23 ATOM 23 C LIG 1 2.219 0.359 0.031 0.00 0.00 +0.190 C BRANCH 23 24 ATOM 24 C LIG 1 2.108 1.877 0.015 0.00 0.00 -0.018 A ATOM 25 C LIG 1 1.020 2.562 -0.547 0.00 0.00 +0.006 A ATOM 26 C LIG 1 0.975 3.958 -0.536 0.00 0.00 +0.000 A ATOM 27 C LIG 1 2.018 4.691 0.026 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.113 4.030 0.574 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.160 2.635 0.565 0.00 0.00 +0.006 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 3.994 -1.157 -0.809 0.00 0.00 +0.231 C ATOM 31 N LIG 1 3.216 -0.033 -0.959 0.00 0.00 -0.299 N ATOM 32 H LIG 1 3.091 0.291 -1.913 0.00 0.00 +0.150 HD ATOM 33 O LIG 1 4.053 -1.792 0.241 0.00 0.00 -0.274 OA BRANCH 30 34 ATOM 34 C LIG 1 4.718 -1.586 -2.106 0.00 0.00 +0.137 C ATOM 35 C LIG 1 5.871 -2.545 -1.824 0.00 0.00 +0.034 C BRANCH 34 37 ATOM 36 C LIG 1 6.156 0.402 -2.359 0.00 0.00 +0.101 C ATOM 37 N LIG 1 5.096 -0.416 -2.940 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 5.415 -0.759 -3.847 0.00 0.00 +0.122 HD ENDBRANCH 34 37 ENDBRANCH 30 34 ENDBRANCH 23 31 ENDBRANCH 1 23 TORSDOF 8