REMARK Name = BDB045475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.181 -1.651 0.030 0.00 0.00 +0.008 C ATOM 2 C LIG 1 -1.198 -0.813 0.195 0.00 0.00 +0.108 C ATOM 3 C LIG 1 0.126 -1.322 0.562 0.00 0.00 +0.261 C ATOM 4 O LIG 1 0.276 -2.445 1.047 0.00 0.00 -0.269 OA ATOM 5 N LIG 1 1.196 -0.453 0.351 0.00 0.00 -0.206 N ATOM 6 C LIG 1 1.029 0.870 -0.073 0.00 0.00 +0.320 C ATOM 7 O LIG 1 2.020 1.593 -0.272 0.00 0.00 -0.251 OA ATOM 8 N LIG 1 -0.262 1.383 -0.234 0.00 0.00 -0.206 N ATOM 9 C LIG 1 -1.412 0.618 -0.033 0.00 0.00 +0.261 C ATOM 10 O LIG 1 -2.538 1.116 -0.024 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 16 ATOM 11 O LIG 1 -6.108 -5.474 -1.020 0.00 0.00 -0.284 OA ATOM 12 C LIG 1 -5.238 -4.536 -0.863 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -5.004 -3.416 -1.774 0.00 0.00 +0.226 A ATOM 14 O LIG 1 -5.625 -3.192 -2.882 0.00 0.00 -0.284 OA ATOM 15 C LIG 1 -3.987 -2.494 -1.394 0.00 0.00 +0.063 A ATOM 16 C LIG 1 -3.214 -2.603 -0.236 0.00 0.00 -0.013 A ATOM 17 C LIG 1 -3.431 -3.659 0.622 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -4.422 -4.588 0.304 0.00 0.00 +0.055 A ENDBRANCH 1 16 BRANCH 5 19 ATOM 19 C LIG 1 2.470 -0.917 0.589 0.00 0.00 +0.128 C BRANCH 19 20 ATOM 20 C LIG 1 3.784 -1.416 0.840 0.00 0.00 -0.019 A ATOM 21 C LIG 1 4.892 -0.583 0.678 0.00 0.00 +0.006 A ATOM 22 C LIG 1 6.175 -1.075 0.924 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.349 -2.398 1.331 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.241 -3.230 1.491 0.00 0.00 +0.000 A ATOM 25 C LIG 1 3.958 -2.740 1.245 0.00 0.00 +0.006 A ENDBRANCH 19 20 ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 -0.412 2.709 -0.570 0.00 0.00 +0.128 C BRANCH 26 27 ATOM 27 C LIG 1 -0.594 4.081 -0.921 0.00 0.00 -0.019 A ATOM 28 C LIG 1 0.514 4.918 -1.068 0.00 0.00 +0.006 A ATOM 29 C LIG 1 0.332 6.259 -1.412 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -0.955 6.761 -1.607 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -2.062 5.923 -1.461 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.881 4.582 -1.118 0.00 0.00 +0.006 A ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 5