REMARK Name = BDB016722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.495 -2.374 0.567 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.364 -2.092 -0.807 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.217 -1.425 -1.251 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.180 -1.048 -0.409 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.219 -0.412 -1.260 0.00 0.00 +0.100 A ATOM 6 N LIG 1 1.656 -0.373 -2.531 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.298 -1.338 0.963 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.842 -0.998 -2.493 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.359 -1.095 -3.359 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.447 -2.000 1.424 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 7.437 1.174 -0.221 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.834 0.091 0.435 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.455 -1.149 0.419 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.107 -2.489 1.005 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.719 -3.092 1.088 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.277 -3.368 0.629 0.00 0.00 +0.228 C ATOM 17 N LIG 1 9.150 -2.589 -0.110 0.00 0.00 -0.284 N ATOM 18 H LIG 1 10.019 -2.944 -0.476 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.404 -4.543 0.929 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.428 -2.613 2.339 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.685 -1.279 -0.240 0.00 0.00 +0.038 A ATOM 22 C LIG 1 9.310 -0.237 -0.893 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.668 1.005 -0.881 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 7.268 3.475 -0.812 0.00 0.00 +0.277 C ATOM 25 O LIG 1 6.729 2.343 -0.143 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.078 0.159 -0.898 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -0.496 1.369 -1.459 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -1.734 1.922 -1.112 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -2.594 1.289 -0.201 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -2.170 0.069 0.341 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -0.931 -0.492 -0.002 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -3.829 1.885 0.100 0.00 0.00 -0.330 N ATOM 33 C LIG 1 -4.748 1.871 -1.056 0.00 0.00 +0.106 C ATOM 34 C LIG 1 -6.136 2.351 -0.640 0.00 0.00 +0.038 C ATOM 35 C LIG 1 -6.777 1.455 0.451 0.00 0.00 +0.060 C ATOM 36 C LIG 1 -5.669 0.736 1.259 0.00 0.00 +0.038 C ATOM 37 C LIG 1 -4.442 1.629 1.410 0.00 0.00 +0.106 C BRANCH 35 38 ATOM 38 N LIG 1 -7.797 0.520 -0.106 0.00 0.00 -0.295 NA ATOM 39 C LIG 1 -9.005 1.254 -0.574 0.00 0.00 +0.113 C ATOM 40 C LIG 1 -10.085 0.302 -1.115 0.00 0.00 +0.175 C ATOM 41 O LIG 1 -10.489 -0.639 -0.116 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 -9.356 -1.401 0.312 0.00 0.00 +0.175 C ATOM 43 C LIG 1 -8.253 -0.492 0.881 0.00 0.00 +0.113 C ENDBRANCH 35 38 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5