REMARK Name = BDB010486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.962 -2.672 -0.400 0.00 0.00 +0.210 A ATOM 2 N LIG 1 -0.668 -2.786 -0.691 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 0.035 -1.736 -0.236 0.00 0.00 +0.186 A ATOM 4 N LIG 1 1.372 -1.577 -0.429 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.694 -0.456 0.168 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.550 0.193 0.617 0.00 0.00 -0.307 N ATOM 7 C LIG 1 -0.514 -0.669 0.456 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -1.879 -0.657 0.742 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -2.600 -1.686 0.254 0.00 0.00 -0.204 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.920 0.121 0.247 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.907 -0.100 -0.844 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.900 1.104 -0.819 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.501 1.339 0.474 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.505 1.489 1.497 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.553 0.284 1.564 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.599 -1.467 -0.820 0.00 0.00 -0.025 A ATOM 17 C LIG 1 4.036 -2.534 -1.543 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.635 -3.796 -1.566 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.819 -4.018 -0.872 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.401 -2.978 -0.154 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.797 -1.716 -0.129 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 S LIG 1 -3.042 -3.975 -0.961 0.00 0.00 +0.028 S ATOM 23 O LIG 1 -2.797 -5.294 0.026 0.00 0.00 -0.154 OA BRANCH 22 25 ATOM 24 C LIG 1 -2.469 -3.180 -3.549 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -2.268 -4.344 -2.582 0.00 0.00 +0.067 C ATOM 26 C LIG 1 -2.898 -5.612 -3.157 0.00 0.00 +0.020 C ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 8 27 ATOM 27 N LIG 1 -2.494 0.347 1.482 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.916 0.632 2.265 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.901 0.159 1.863 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -4.478 1.548 2.142 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.024 -0.790 3.062 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.443 -0.395 4.451 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -4.580 -1.230 5.078 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.389 -0.967 3.789 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 6 35 ATOM 35 C LIG 1 0.478 1.602 0.966 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 0.584 2.556 -0.241 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.755 4.000 0.257 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.828 4.997 -0.896 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.396 4.891 -1.812 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -0.281 5.865 -2.983 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.570 3.454 -2.318 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.639 2.452 -1.167 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9