REMARK Name = BDB049805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.836 -1.181 -1.830 0.00 0.00 +0.282 C ATOM 2 N LIG 1 0.830 -1.008 -0.856 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.801 0.138 0.056 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -0.088 -0.071 1.279 0.00 0.00 +0.037 C ATOM 5 C LIG 1 -1.478 -0.583 0.889 0.00 0.00 +0.057 C ATOM 6 C LIG 1 -1.301 -1.891 0.117 0.00 0.00 +0.037 C ATOM 7 C LIG 1 -0.441 -1.675 -1.123 0.00 0.00 +0.109 C ATOM 8 O LIG 1 1.787 -2.127 -2.621 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 14 ATOM 9 C LIG 1 4.845 2.733 -1.530 0.00 0.00 +0.064 A ATOM 10 C LIG 1 4.239 1.491 -1.794 0.00 0.00 +0.102 A ATOM 11 C LIG 1 4.917 0.573 -2.594 0.00 0.00 +0.067 A ATOM 12 N LIG 1 4.076 -0.506 -2.663 0.00 0.00 -0.334 N ATOM 13 H LIG 1 4.224 -1.365 -3.175 0.00 0.00 +0.168 HD ATOM 14 C LIG 1 2.946 -0.239 -1.925 0.00 0.00 +0.195 A ATOM 15 C LIG 1 6.177 0.814 -3.148 0.00 0.00 +0.028 A ATOM 16 C LIG 1 6.762 2.054 -2.876 0.00 0.00 +0.003 A ATOM 17 N LIG 1 3.015 0.979 -1.423 0.00 0.00 -0.223 NA ATOM 18 C LIG 1 6.113 3.002 -2.079 0.00 0.00 +0.015 A BRANCH 9 22 ATOM 19 N LIG 1 4.256 5.036 -1.090 0.00 0.00 -0.325 N ATOM 20 H LIG 1 4.540 5.280 -2.028 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 3.683 5.697 -0.581 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 4.160 3.731 -0.682 0.00 0.00 +0.244 C ATOM 23 O LIG 1 3.536 3.438 0.328 0.00 0.00 -0.270 OA ENDBRANCH 9 22 ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 N LIG 1 -2.271 -0.732 2.117 0.00 0.00 -0.310 NA ATOM 25 H LIG 1 -2.273 0.153 2.627 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.650 -1.213 1.956 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -4.510 -0.356 1.016 0.00 0.00 +0.034 C ATOM 28 C LIG 1 -5.957 -0.850 1.007 0.00 0.00 +0.082 C ATOM 29 N LIG 1 -6.542 -0.860 2.348 0.00 0.00 -0.316 NA ATOM 30 H LIG 1 -6.556 0.094 2.712 0.00 0.00 +0.122 HD ATOM 31 C LIG 1 -5.763 -1.706 3.255 0.00 0.00 +0.082 C ATOM 32 C LIG 1 -4.306 -1.257 3.347 0.00 0.00 +0.034 C ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 4