REMARK Name = BDB024335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.281 -0.151 0.236 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.706 -1.608 0.338 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.580 -2.487 -0.750 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.978 -3.820 -0.637 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.514 -4.290 0.559 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.655 -3.429 1.645 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.256 -2.096 1.536 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.188 -0.049 -0.288 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -2.119 -0.176 0.734 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.772 -0.366 1.662 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.428 0.100 -1.486 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.509 -0.118 0.581 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -4.064 0.111 -0.618 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -5.417 0.160 -0.698 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -6.280 -0.006 0.380 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -5.679 -0.242 1.617 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -4.286 -0.300 1.720 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -7.726 0.056 0.244 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -8.413 0.522 -0.859 0.00 0.00 +0.113 A ATOM 20 N LIG 1 -9.743 0.404 -0.571 0.00 0.00 -0.284 N ATOM 21 H LIG 1 -10.537 0.648 -1.155 0.00 0.00 +0.188 HD ATOM 22 N LIG 1 -9.980 -0.099 0.649 0.00 0.00 -0.182 NA ATOM 23 C LIG 1 -8.758 -0.311 1.143 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 1.148 0.672 -0.631 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 1.005 0.380 -1.599 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 2.562 0.659 -0.265 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 2.908 3.096 -0.971 0.00 0.00 +0.014 C ATOM 28 C LIG 1 3.385 1.647 -1.129 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 4.872 1.519 -0.819 0.00 0.00 -0.043 A ATOM 30 C LIG 1 5.741 0.989 -1.785 0.00 0.00 +0.005 A ATOM 31 C LIG 1 7.107 0.855 -1.520 0.00 0.00 +0.019 A ATOM 32 C LIG 1 7.623 1.249 -0.282 0.00 0.00 +0.052 A ATOM 33 C LIG 1 6.767 1.777 0.687 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.401 1.909 0.421 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 9.023 1.110 -0.008 0.00 0.00 +0.099 C ATOM 36 N LIG 1 10.157 1.002 0.216 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9