REMARK Name = BDB024165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.421 -1.759 -0.426 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.157 -3.007 -1.264 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.239 -4.282 -0.682 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.987 -5.425 -1.444 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.657 -5.307 -2.793 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.585 -4.048 -3.385 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.837 -2.904 -2.628 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.000 -1.416 -0.092 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -0.029 -2.424 0.002 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.190 -0.784 -0.446 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -1.284 0.416 -0.698 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.829 0.271 0.325 0.00 0.00 +0.121 A ATOM 13 N LIG 1 2.780 1.082 0.074 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 1.542 0.536 -0.070 0.00 0.00 +0.136 A ATOM 15 C LIG 1 1.270 -0.819 0.040 0.00 0.00 +0.052 A ATOM 16 C LIG 1 2.350 -1.648 0.320 0.00 0.00 +0.028 A ATOM 17 C LIG 1 3.628 -1.102 0.466 0.00 0.00 +0.045 A BRANCH 12 22 ATOM 18 C LIG 1 8.888 2.088 0.558 0.00 0.00 +0.105 C ATOM 19 N LIG 1 7.621 2.304 -0.135 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 7.182 1.101 -0.870 0.00 0.00 +0.103 C ATOM 21 C LIG 1 6.251 0.134 -0.099 0.00 0.00 +0.122 C ATOM 22 N LIG 1 5.093 0.829 0.489 0.00 0.00 -0.313 N ATOM 23 C LIG 1 5.149 2.301 0.464 0.00 0.00 +0.122 C ATOM 24 C LIG 1 6.580 2.768 0.812 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -3.662 -1.109 -0.901 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -4.346 -1.832 -1.121 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.233 -0.203 0.101 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.439 0.541 -0.487 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -6.065 1.477 0.521 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -7.195 1.086 1.251 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.761 1.950 2.193 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.200 3.211 2.416 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.069 3.604 1.694 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.505 2.741 0.752 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.781 4.095 3.384 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.253 4.806 4.170 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9