REMARK Name = BDB029284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.582 0.595 -2.224 0.00 0.00 +0.195 C ATOM 2 C LIG 1 1.655 -0.612 -2.060 0.00 0.00 +0.252 C ATOM 3 O LIG 1 2.261 -1.484 -1.073 0.00 0.00 -0.345 OA ATOM 4 C LIG 1 3.655 -1.104 -0.911 0.00 0.00 +0.185 C ATOM 5 C LIG 1 3.937 -0.054 -1.989 0.00 0.00 +0.179 C ENDROOT BRANCH 2 6 ATOM 6 N LIG 1 0.289 -0.328 -1.651 0.00 0.00 -0.303 N ATOM 7 C LIG 1 -0.813 -0.973 -2.169 0.00 0.00 +0.146 A ATOM 8 C LIG 1 -1.944 -0.470 -1.539 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -3.182 -1.003 -1.931 0.00 0.00 +0.056 A ATOM 10 N LIG 1 -3.192 -1.977 -2.881 0.00 0.00 -0.240 NA ATOM 11 C LIG 1 -2.018 -2.371 -3.413 0.00 0.00 +0.223 A ATOM 12 C LIG 1 -1.498 0.507 -0.609 0.00 0.00 +0.031 A ATOM 13 N LIG 1 -0.787 -1.926 -3.118 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 -0.124 0.573 -0.697 0.00 0.00 +0.091 A BRANCH 9 15 ATOM 15 C LIG 1 -4.504 -0.600 -1.342 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 C LIG 1 -4.853 -1.470 -0.137 0.00 0.00 +0.166 C BRANCH 16 17 ATOM 17 O LIG 1 -6.119 -1.113 0.421 0.00 0.00 -0.375 OA BRANCH 17 18 ATOM 18 C LIG 1 -6.046 -0.006 1.319 0.00 0.00 +0.195 C BRANCH 18 19 ATOM 19 C LIG 1 -7.409 0.272 1.903 0.00 0.00 -0.022 A ATOM 20 C LIG 1 -8.233 -0.776 2.339 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -9.478 -0.512 2.912 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -9.910 0.804 3.065 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -9.098 1.855 2.646 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -7.852 1.592 2.073 0.00 0.00 +0.006 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 2 6 BRANCH 1 25 ATOM 25 O LIG 1 2.510 1.195 -3.517 0.00 0.00 -0.385 OA ATOM 26 H LIG 1 3.215 0.774 -4.052 0.00 0.00 +0.210 HD ENDBRANCH 1 25 BRANCH 5 27 ATOM 27 O LIG 1 4.345 -0.674 -3.231 0.00 0.00 -0.386 OA ATOM 28 H LIG 1 4.018 -1.593 -3.254 0.00 0.00 +0.210 HD ENDBRANCH 5 27 BRANCH 4 29 ATOM 29 C LIG 1 3.862 -0.639 0.548 0.00 0.00 +0.176 C BRANCH 29 30 ATOM 30 C LIG 1 5.303 -0.285 0.857 0.00 0.00 -0.016 A ATOM 31 C LIG 1 5.719 1.050 1.003 0.00 0.00 +0.010 A ATOM 32 C LIG 1 7.049 1.286 1.262 0.00 0.00 -0.044 A ATOM 33 C LIG 1 8.068 2.360 1.508 0.00 0.00 +0.040 C ATOM 34 C LIG 1 9.110 1.200 1.637 0.00 0.00 +0.040 C ATOM 35 C LIG 1 7.963 0.269 1.380 0.00 0.00 -0.044 A ATOM 36 C LIG 1 7.605 -1.050 1.250 0.00 0.00 +0.004 A ATOM 37 C LIG 1 6.260 -1.325 0.986 0.00 0.00 +0.006 A ENDBRANCH 29 30 BRANCH 29 38 ATOM 38 O LIG 1 2.987 0.451 0.847 0.00 0.00 -0.385 OA ATOM 39 H LIG 1 2.126 0.041 1.051 0.00 0.00 +0.210 HD ENDBRANCH 29 38 ENDBRANCH 4 29 TORSDOF 11