REMARK Name = BDB029702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.828 -0.215 1.702 0.00 0.00 -0.314 N ATOM 2 C LIG 1 0.859 0.736 1.108 0.00 0.00 +0.122 C ATOM 3 C LIG 1 -0.555 0.120 1.024 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -1.123 -0.254 2.343 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.053 -0.677 3.275 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.222 -1.224 2.598 0.00 0.00 +0.122 C ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 5.696 -0.757 -0.001 0.00 0.00 +0.101 A ATOM 8 C LIG 1 5.271 0.598 0.454 0.00 0.00 +0.265 A ATOM 9 O LIG 1 6.033 1.557 0.304 0.00 0.00 -0.267 OA ATOM 10 N LIG 1 4.006 0.711 1.048 0.00 0.00 -0.299 N ATOM 11 C LIG 1 3.655 2.013 1.595 0.00 0.00 +0.154 C ATOM 12 C LIG 1 3.116 -0.362 1.174 0.00 0.00 +0.104 A ATOM 13 C LIG 1 3.545 -1.571 0.761 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.841 -1.775 0.177 0.00 0.00 +0.022 A BRANCH 7 17 ATOM 15 N LIG 1 7.888 -0.009 -0.730 0.00 0.00 -0.311 N ATOM 16 H LIG 1 7.568 0.911 -0.425 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 7.015 -1.062 -0.634 0.00 0.00 +0.249 C ATOM 18 O LIG 1 7.289 -2.190 -1.039 0.00 0.00 -0.270 OA BRANCH 15 20 ATOM 19 C LIG 1 9.067 0.119 -2.874 0.00 0.00 +0.024 C ATOM 20 C LIG 1 9.175 -0.114 -1.378 0.00 0.00 +0.101 C ENDBRANCH 15 20 ENDBRANCH 7 17 ENDBRANCH 1 12 BRANCH 4 21 ATOM 21 C LIG 1 -2.168 -1.279 2.215 0.00 0.00 +0.121 C BRANCH 21 22 ATOM 22 C LIG 1 -3.382 -0.798 1.460 0.00 0.00 -0.013 A ATOM 23 C LIG 1 -3.798 -1.410 0.272 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -4.929 -0.925 -0.373 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -5.614 0.150 0.183 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.801 0.655 -0.494 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -7.255 0.129 -1.651 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -6.506 -1.059 -2.224 0.00 0.00 +0.253 A ATOM 29 O LIG 1 -6.881 -1.621 -3.250 0.00 0.00 -0.268 OA ATOM 30 N LIG 1 -5.244 0.763 1.327 0.00 0.00 -0.253 NA ATOM 31 N LIG 1 -5.390 -1.500 -1.560 0.00 0.00 -0.321 N ATOM 32 H LIG 1 -4.916 -2.291 -1.974 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -4.137 0.276 1.935 0.00 0.00 +0.116 A BRANCH 27 34 ATOM 34 C LIG 1 -8.466 0.626 -2.340 0.00 0.00 +0.024 C ATOM 35 C LIG 1 -8.325 1.242 -3.711 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -8.682 2.107 -2.540 0.00 0.00 +0.009 C ENDBRANCH 27 34 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 6