REMARK Name = BDB010462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.532 -0.520 1.000 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.256 -0.186 0.550 0.00 0.00 -0.318 N ATOM 3 C LIG 1 -0.553 -1.298 0.694 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.317 -2.289 1.108 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.025 -3.572 1.299 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -1.314 -3.818 1.030 0.00 0.00 +0.159 A ATOM 7 N LIG 1 -2.235 -2.912 0.641 0.00 0.00 -0.213 NA ATOM 8 C LIG 1 -1.895 -1.612 0.487 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.573 -1.809 1.306 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.081 0.685 1.424 0.00 0.00 -0.041 A ATOM 11 C LIG 1 3.975 -0.167 1.314 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.704 0.369 1.105 0.00 0.00 +0.106 A ATOM 13 N LIG 1 2.487 1.700 1.010 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 3.563 2.510 1.120 0.00 0.00 +0.112 A ATOM 15 C LIG 1 4.857 2.059 1.321 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.409 0.442 0.493 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.465 0.106 1.649 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.054 0.566 2.985 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 8 19 ATOM 19 N LIG 1 -2.862 -0.673 0.159 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -2.746 0.191 0.672 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -4.254 -1.102 0.032 0.00 0.00 +0.072 C ATOM 22 C LIG 1 -4.902 -0.227 -1.048 0.00 0.00 +0.028 C BRANCH 21 23 ATOM 23 C LIG 1 -5.069 -0.978 1.325 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -4.543 -1.576 2.663 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.302 -0.438 3.379 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -5.148 0.382 2.080 0.00 0.00 +0.005 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 8 19 BRANCH 2 27 ATOM 27 C LIG 1 -0.125 1.073 -0.072 0.00 0.00 +0.127 C BRANCH 27 28 ATOM 28 C LIG 1 0.426 1.265 -1.502 0.00 0.00 +0.009 C ATOM 29 C LIG 1 0.159 2.701 -2.000 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -1.110 2.795 -2.842 0.00 0.00 +0.003 C ATOM 31 C LIG 1 -1.038 1.909 -4.100 0.00 0.00 -0.014 C ATOM 32 C LIG 1 -0.604 2.713 -5.327 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -0.115 0.693 -3.912 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -0.138 0.203 -2.469 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 2 27 BRANCH 6 35 ATOM 35 C LIG 1 -1.778 -5.251 1.194 0.00 0.00 +0.232 C BRANCH 35 36 ATOM 36 O LIG 1 -0.736 -6.128 1.637 0.00 0.00 -0.387 OA ATOM 37 H LIG 1 0.060 -5.564 1.722 0.00 0.00 +0.210 HD ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9