REMARK Name = BDB008272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.862 -1.025 -0.054 0.00 0.00 +0.128 A ATOM 2 N LIG 1 1.175 0.279 -0.015 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.197 1.184 0.182 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.128 0.820 0.345 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.463 -0.537 0.305 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -0.443 -1.471 0.103 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.861 -0.978 0.469 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -3.710 -1.149 -0.673 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -5.040 -1.595 -0.503 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -5.891 -1.786 -1.526 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -5.455 -1.532 -2.777 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -4.183 -1.089 -3.066 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -5.501 -1.849 0.776 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -4.692 -1.679 1.900 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.306 -0.898 -2.004 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -3.371 -1.245 1.762 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -2.533 -1.068 3.002 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 3.202 -1.733 -0.439 0.00 0.00 +0.235 C ATOM 19 N LIG 1 1.854 -1.994 -0.256 0.00 0.00 -0.269 N ATOM 20 H LIG 1 1.553 -2.957 -0.265 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 3.741 -0.630 -0.474 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 4.025 -3.031 -0.638 0.00 0.00 +0.137 C ATOM 23 C LIG 1 3.880 -3.495 -2.085 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 5.714 -2.707 1.081 0.00 0.00 +0.101 C ATOM 25 N LIG 1 5.458 -2.804 -0.353 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 5.705 -1.901 -0.775 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 0.658 2.498 0.202 0.00 0.00 -0.265 N ATOM 28 H LIG 1 1.663 2.569 0.062 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 -0.056 3.660 0.384 0.00 0.00 +0.269 C ATOM 30 O LIG 1 -1.265 3.750 0.567 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 0.773 4.900 0.345 0.00 0.00 +0.148 A ATOM 32 N LIG 1 2.104 4.738 0.143 0.00 0.00 -0.145 NA ATOM 33 N LIG 1 2.914 5.836 0.099 0.00 0.00 -0.157 NA ATOM 34 C LIG 1 2.377 7.064 0.256 0.00 0.00 +0.135 A ATOM 35 C LIG 1 1.025 7.264 0.464 0.00 0.00 +0.024 A ATOM 36 C LIG 1 0.196 6.150 0.510 0.00 0.00 +0.036 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6