REMARK Name = BDB021519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.332 -4.673 -0.867 0.00 0.00 +0.057 C ATOM 2 C LIG 1 -0.910 -3.263 -1.044 0.00 0.00 +0.121 C ATOM 3 O LIG 1 -2.005 -3.185 -0.110 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 -2.378 -1.937 0.305 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.585 -1.112 1.108 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -2.127 0.074 1.624 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -3.446 0.434 1.336 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -4.244 -0.387 0.525 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -0.191 -1.448 1.488 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.219 -1.111 2.596 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 0.613 -2.080 0.549 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -3.700 -1.577 0.019 0.00 0.00 +0.051 A ATOM 13 C LIG 1 0.199 -2.211 -0.846 0.00 0.00 +0.155 C ATOM 14 C LIG 1 -1.483 -3.149 -2.463 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -5.679 -0.021 0.221 0.00 0.00 +0.119 C BRANCH 15 16 ATOM 16 N LIG 1 -5.900 0.326 -1.192 0.00 0.00 -0.294 NA ATOM 17 C LIG 1 -7.346 0.414 -1.499 0.00 0.00 +0.113 C ATOM 18 C LIG 1 -8.037 1.659 -0.913 0.00 0.00 +0.175 C ATOM 19 O LIG 1 -7.390 2.866 -1.333 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 -5.996 2.851 -0.996 0.00 0.00 +0.175 C ATOM 21 C LIG 1 -5.279 1.616 -1.572 0.00 0.00 +0.113 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 22 ATOM 22 C LIG 1 1.970 -2.488 0.913 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 3.053 -1.464 0.531 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 4.319 -2.136 0.474 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 4.988 -1.417 0.558 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 3.158 -0.286 1.526 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 4.367 0.535 1.260 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 4.212 1.376 0.061 0.00 0.00 +0.120 C ATOM 29 C LIG 1 5.497 2.101 -0.249 0.00 0.00 -0.030 A ATOM 30 C LIG 1 6.277 2.592 0.805 0.00 0.00 -0.042 A ATOM 31 C LIG 1 7.454 3.303 0.533 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.857 3.518 -0.781 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.089 3.027 -1.827 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.844 2.371 2.233 0.00 0.00 +0.051 C ATOM 35 C LIG 1 5.912 2.324 -1.565 0.00 0.00 +0.005 A ATOM 36 C LIG 1 4.647 1.410 2.415 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7