REMARK Name = BDB063410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.789 -0.475 0.076 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.426 -0.158 0.962 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 4.963 0.082 -0.485 0.00 0.00 +0.017 A ATOM 4 C LIG 1 4.203 -0.571 -1.462 0.00 0.00 +0.013 A ATOM 5 C LIG 1 2.822 -0.764 -1.290 0.00 0.00 +0.024 A ATOM 6 C LIG 1 2.159 -0.321 -0.144 0.00 0.00 +0.034 A ATOM 7 C LIG 1 2.927 0.332 0.830 0.00 0.00 +0.024 A ATOM 8 C LIG 1 4.304 0.528 0.665 0.00 0.00 +0.013 A BRANCH 3 14 ATOM 9 C LIG 1 9.708 1.237 0.321 0.00 0.00 +0.064 A ATOM 10 C LIG 1 8.478 0.830 -0.231 0.00 0.00 +0.102 A ATOM 11 C LIG 1 8.439 0.411 -1.557 0.00 0.00 +0.067 A ATOM 12 N LIG 1 7.124 0.092 -1.777 0.00 0.00 -0.338 N ATOM 13 H LIG 1 6.744 -0.237 -2.651 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 6.407 0.309 -0.622 0.00 0.00 +0.139 A ATOM 15 C LIG 1 9.562 0.371 -2.387 0.00 0.00 +0.028 A ATOM 16 C LIG 1 10.777 0.778 -1.826 0.00 0.00 +0.003 A ATOM 17 N LIG 1 7.212 0.762 0.324 0.00 0.00 -0.227 NA ATOM 18 C LIG 1 10.853 1.203 -0.498 0.00 0.00 +0.015 A BRANCH 9 22 ATOM 19 N LIG 1 8.699 1.700 2.486 0.00 0.00 -0.325 N ATOM 20 H LIG 1 8.754 1.999 3.448 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 7.807 1.397 2.100 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 9.832 1.693 1.725 0.00 0.00 +0.244 C ATOM 23 O LIG 1 10.908 2.051 2.191 0.00 0.00 -0.270 OA ENDBRANCH 9 22 ENDBRANCH 3 14 ENDBRANCH 1 6 BRANCH 1 24 ATOM 24 C LIG 1 -0.256 -1.039 -0.653 0.00 0.00 +0.221 A ATOM 25 N LIG 1 -1.450 -1.007 -0.036 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 -2.530 -1.513 -0.661 0.00 0.00 +0.126 A ATOM 27 C LIG 1 -2.403 -2.086 -1.909 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -1.150 -2.083 -2.471 0.00 0.00 +0.118 A ATOM 29 N LIG 1 -0.072 -1.561 -1.870 0.00 0.00 -0.223 NA BRANCH 26 30 ATOM 30 N LIG 1 -3.757 -1.484 -0.005 0.00 0.00 -0.312 N ATOM 31 C LIG 1 -3.741 -1.034 1.398 0.00 0.00 +0.125 C ATOM 32 C LIG 1 -5.133 -1.183 2.032 0.00 0.00 +0.127 C ATOM 33 N LIG 1 -6.166 -0.442 1.304 0.00 0.00 -0.295 N ATOM 34 C LIG 1 -7.376 -0.208 1.946 0.00 0.00 +0.247 C ATOM 35 O LIG 1 -7.650 -0.674 3.050 0.00 0.00 -0.270 OA ATOM 36 C LIG 1 -5.895 -0.178 -0.116 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -4.991 -1.242 -0.772 0.00 0.00 +0.125 C BRANCH 34 38 ATOM 38 C LIG 1 -8.388 0.642 1.281 0.00 0.00 +0.037 A ATOM 39 C LIG 1 -8.071 1.938 0.859 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -9.050 2.725 0.250 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -10.341 2.224 0.079 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -10.663 0.940 0.524 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -9.688 0.149 1.133 0.00 0.00 +0.013 A ENDBRANCH 34 38 ENDBRANCH 26 30 ENDBRANCH 1 24 TORSDOF 6