REMARK Name = BDB036356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.553 1.058 -1.840 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.314 1.572 -3.122 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.413 0.836 -4.085 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.911 -0.423 -3.730 0.00 0.00 +0.024 A ATOM 5 S LIG 1 -1.774 -1.122 -5.063 0.00 0.00 -0.096 S ATOM 6 C LIG 1 -1.491 0.218 -6.071 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.700 -0.982 -2.438 0.00 0.00 -0.019 A ATOM 8 C LIG 1 -0.759 1.189 -5.434 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.063 -0.213 -1.535 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.247 1.941 -0.798 0.00 0.00 +0.060 C BRANCH 10 23 ATOM 11 C LIG 1 4.066 1.140 -1.487 0.00 0.00 +0.046 C ATOM 12 C LIG 1 3.459 0.790 -0.158 0.00 0.00 -0.023 A ATOM 13 C LIG 1 4.201 0.100 0.797 0.00 0.00 +0.068 A ATOM 14 N LIG 1 5.527 -0.392 0.707 0.00 0.00 -0.262 N ATOM 15 H LIG 1 6.167 0.262 0.267 0.00 0.00 +0.168 HD ATOM 16 N LIG 1 5.884 -0.869 2.021 0.00 0.00 -0.161 NA ATOM 17 H LIG 1 6.442 -0.150 2.493 0.00 0.00 +0.168 HD ATOM 18 N LIG 1 4.641 -1.019 2.730 0.00 0.00 -0.252 N ATOM 19 C LIG 1 4.610 -1.046 4.180 0.00 0.00 +0.151 C ATOM 20 C LIG 1 3.667 -0.298 2.031 0.00 0.00 +0.068 A ATOM 21 C LIG 1 2.375 0.024 2.372 0.00 0.00 +0.026 A ATOM 22 C LIG 1 1.614 0.753 1.453 0.00 0.00 +0.006 A ATOM 23 C LIG 1 2.131 1.157 0.190 0.00 0.00 -0.035 A ENDBRANCH 10 23 BRANCH 10 24 ATOM 24 C LIG 1 0.175 2.846 -0.160 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 0.743 3.869 0.777 0.00 0.00 +0.306 C ATOM 26 O LIG 1 0.349 4.092 1.912 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 1.720 4.617 0.234 0.00 0.00 -0.481 OA ATOM 28 H LIG 1 1.963 5.244 0.947 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 10 24 ENDBRANCH 1 10 BRANCH 7 29 ATOM 29 C LIG 1 -1.228 -2.343 -2.019 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 -2.161 -2.407 -0.881 0.00 0.00 -0.286 NA ATOM 31 C LIG 1 -3.285 -1.451 -0.936 0.00 0.00 +0.107 C ATOM 32 C LIG 1 -4.610 -2.222 -1.033 0.00 0.00 +0.031 C ATOM 33 C LIG 1 -3.320 -0.419 0.183 0.00 0.00 +0.103 A ATOM 34 C LIG 1 -3.419 -0.790 1.525 0.00 0.00 +0.144 A ATOM 35 C LIG 1 -3.532 0.209 2.490 0.00 0.00 +0.053 A ATOM 36 C LIG 1 -3.497 1.545 2.109 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -3.368 1.825 0.762 0.00 0.00 +0.213 A ATOM 38 O LIG 1 -3.491 -2.067 1.984 0.00 0.00 -0.486 OA ATOM 39 C LIG 1 -2.505 -3.015 1.540 0.00 0.00 +0.184 C ATOM 40 C LIG 1 -1.715 -3.416 2.789 0.00 0.00 +0.053 C ATOM 41 N LIG 1 -3.279 0.889 -0.197 0.00 0.00 -0.213 NA ATOM 42 C LIG 1 -1.523 -2.588 0.423 0.00 0.00 +0.129 C BRANCH 37 43 ATOM 43 O LIG 1 -3.304 3.112 0.315 0.00 0.00 -0.492 OA ATOM 44 H LIG 1 -3.401 3.697 1.081 0.00 0.00 +0.294 HD ENDBRANCH 37 43 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 8