REMARK Name = BDB045003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.119 -0.434 -0.407 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -0.049 0.157 0.104 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -1.326 -0.291 -0.288 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -1.408 -1.349 -1.208 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -0.250 -1.942 -1.720 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.011 -1.487 -1.322 0.00 0.00 +0.031 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 4.519 0.412 0.337 0.00 0.00 +0.113 A ATOM 8 N LIG 1 3.802 1.291 1.099 0.00 0.00 -0.129 NA ATOM 9 N LIG 1 2.513 1.062 0.897 0.00 0.00 -0.060 NA ATOM 10 N LIG 1 2.389 0.045 0.013 0.00 0.00 -0.219 N ATOM 11 C LIG 1 3.643 -0.389 -0.361 0.00 0.00 +0.144 A BRANCH 7 15 ATOM 12 C LIG 1 8.794 0.357 0.299 0.00 0.00 +0.052 A ATOM 13 C LIG 1 8.081 -0.550 -0.491 0.00 0.00 +0.019 A ATOM 14 C LIG 1 6.680 -0.540 -0.486 0.00 0.00 +0.011 A ATOM 15 C LIG 1 5.972 0.374 0.308 0.00 0.00 +0.004 A ATOM 16 C LIG 1 6.702 1.279 1.095 0.00 0.00 +0.011 A ATOM 17 C LIG 1 8.101 1.272 1.093 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 11.388 0.330 0.281 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 10.228 0.345 0.292 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 7 15 ENDBRANCH 1 10 BRANCH 3 20 ATOM 20 C LIG 1 -2.515 0.408 0.317 0.00 0.00 +0.252 C ATOM 21 N LIG 1 -3.756 -0.048 -0.079 0.00 0.00 -0.281 N ATOM 22 H LIG 1 -3.743 -0.816 -0.745 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 -2.312 1.323 1.110 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 -5.024 0.416 0.320 0.00 0.00 +0.034 A ATOM 25 C LIG 1 -6.140 -0.225 -0.235 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -7.448 0.169 0.096 0.00 0.00 +0.057 A ATOM 27 C LIG 1 -7.628 1.214 1.012 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.524 1.856 1.568 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -5.229 1.459 1.222 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 -8.633 -0.549 -0.496 0.00 0.00 +0.417 C ATOM 31 F LIG 1 -9.746 0.231 -0.589 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -8.399 -1.012 -1.756 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -8.998 -1.637 0.237 0.00 0.00 -0.166 F ENDBRANCH 26 30 ENDBRANCH 21 24 ENDBRANCH 3 20 BRANCH 4 34 ATOM 34 O LIG 1 -2.624 -1.828 -1.627 0.00 0.00 -0.506 OA ATOM 35 H LIG 1 -2.479 -2.553 -2.261 0.00 0.00 +0.292 HD ENDBRANCH 4 34 TORSDOF 7