REMARK Name = BDB050773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.589 -0.861 0.793 0.00 0.00 +0.031 A ATOM 2 C LIG 1 0.330 -0.597 1.814 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.613 -0.120 1.521 0.00 0.00 +0.013 A ATOM 4 C LIG 1 2.022 0.088 0.197 0.00 0.00 +0.017 A ATOM 5 C LIG 1 1.116 -0.215 -0.827 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.168 -0.693 -0.531 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.373 0.594 -0.067 0.00 0.00 +0.139 A ATOM 8 N LIG 1 3.793 1.094 -1.278 0.00 0.00 -0.338 N ATOM 9 H LIG 1 3.225 1.178 -2.107 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 5.103 1.486 -1.173 0.00 0.00 +0.067 A ATOM 11 C LIG 1 5.444 1.206 0.146 0.00 0.00 +0.102 A ATOM 12 C LIG 1 6.750 1.496 0.591 0.00 0.00 +0.064 A ATOM 13 C LIG 1 7.657 2.062 -0.324 0.00 0.00 +0.015 A ATOM 14 C LIG 1 7.279 2.333 -1.642 0.00 0.00 +0.003 A ATOM 15 C LIG 1 5.987 2.049 -2.096 0.00 0.00 +0.028 A ATOM 16 N LIG 1 4.360 0.662 0.811 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 7.191 1.224 1.978 0.00 0.00 +0.244 C ATOM 18 O LIG 1 8.327 1.487 2.354 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 6.282 0.664 2.828 0.00 0.00 -0.325 N ATOM 20 H LIG 1 6.557 0.458 3.777 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 5.341 0.436 2.514 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 -1.854 -1.402 1.133 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -2.163 -1.026 2.027 0.00 0.00 +0.152 HD BRANCH 22 36 ATOM 24 C LIG 1 -4.757 1.785 0.597 0.00 0.00 +0.121 A ATOM 25 C LIG 1 -3.813 0.774 0.784 0.00 0.00 +0.057 A ATOM 26 C LIG 1 -3.885 -0.457 0.084 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -4.932 -0.647 -0.835 0.00 0.00 +0.074 A ATOM 28 N LIG 1 -5.075 -1.763 -1.563 0.00 0.00 -0.247 NA ATOM 29 C LIG 1 -4.190 -2.761 -1.428 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -3.102 -2.702 -0.541 0.00 0.00 +0.022 A ATOM 31 C LIG 1 -2.223 -3.810 -0.460 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -2.414 -4.944 -1.248 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.489 -4.989 -2.123 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.362 -3.902 -2.203 0.00 0.00 +0.028 A ATOM 35 C LIG 1 -5.863 0.368 -1.008 0.00 0.00 +0.032 A ATOM 36 C LIG 1 -2.962 -1.524 0.237 0.00 0.00 +0.050 A ATOM 37 C LIG 1 -5.791 1.575 -0.304 0.00 0.00 +0.048 A BRANCH 24 39 ATOM 38 C LIG 1 -5.489 3.968 1.185 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -4.554 2.908 1.347 0.00 0.00 -0.495 OA ENDBRANCH 24 39 ENDBRANCH 22 36 ENDBRANCH 1 22 TORSDOF 5