REMARK Name = BDB033625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.919 1.452 1.422 0.00 0.00 -0.215 N ATOM 2 C LIG 1 0.235 2.121 1.112 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.349 2.996 0.264 0.00 0.00 -0.272 OA ATOM 4 C LIG 1 1.344 1.561 2.007 0.00 0.00 +0.138 C ATOM 5 C LIG 1 2.474 0.879 1.288 0.00 0.00 -0.012 A ATOM 6 C LIG 1 3.695 1.193 1.896 0.00 0.00 -0.041 A ATOM 7 C LIG 1 4.888 0.654 1.438 0.00 0.00 +0.012 A ATOM 8 C LIG 1 4.865 -0.210 0.332 0.00 0.00 -0.015 A ATOM 9 C LIG 1 3.629 -0.521 -0.273 0.00 0.00 +0.009 A ATOM 10 C LIG 1 3.495 2.102 3.070 0.00 0.00 +0.038 C ATOM 11 C LIG 1 2.428 0.017 0.205 0.00 0.00 +0.007 A ATOM 12 C LIG 1 2.080 2.644 2.810 0.00 0.00 +0.045 C ATOM 13 N LIG 1 0.600 0.644 2.833 0.00 0.00 -0.281 N ATOM 14 H LIG 1 1.015 -0.107 3.367 0.00 0.00 +0.152 HD ATOM 15 C LIG 1 -0.696 0.519 2.386 0.00 0.00 +0.310 C ATOM 16 O LIG 1 -1.489 -0.313 2.795 0.00 0.00 -0.252 OA ENDROOT BRANCH 8 17 ATOM 17 C LIG 1 6.105 -0.782 -0.167 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.348 -1.141 -1.477 0.00 0.00 +0.116 A ATOM 19 N LIG 1 7.628 -1.614 -1.516 0.00 0.00 -0.274 N ATOM 20 C LIG 1 8.337 -2.107 -2.671 0.00 0.00 +0.172 C ATOM 21 N LIG 1 8.246 -1.588 -0.322 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.319 -1.080 0.495 0.00 0.00 +0.142 A ENDBRANCH 8 17 BRANCH 1 23 ATOM 23 C LIG 1 -2.152 1.552 0.677 0.00 0.00 +0.213 C BRANCH 23 25 ATOM 24 N LIG 1 -3.352 0.247 -1.100 0.00 0.00 -0.284 N ATOM 25 C LIG 1 -2.148 0.510 -0.453 0.00 0.00 +0.234 C ATOM 26 O LIG 1 -1.110 -0.070 -0.778 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 27 C LIG 1 -2.985 -2.160 -1.756 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -3.387 -0.754 -2.210 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 C LIG 1 -2.635 -0.338 -3.491 0.00 0.00 +0.408 C ATOM 30 F LIG 1 -2.977 0.926 -3.848 0.00 0.00 -0.169 F ATOM 31 F LIG 1 -2.995 -1.142 -4.524 0.00 0.00 -0.169 F ATOM 32 F LIG 1 -1.295 -0.392 -3.392 0.00 0.00 -0.169 F ENDBRANCH 28 29 ENDBRANCH 24 28 BRANCH 24 33 ATOM 33 C LIG 1 -4.578 1.018 -0.878 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -5.676 0.205 -0.227 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -5.424 -0.595 0.901 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -6.456 -1.319 1.501 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -7.742 -1.238 0.984 0.00 0.00 +0.123 A ATOM 38 F LIG 1 -8.732 -1.932 1.561 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -8.018 -0.445 -0.122 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -6.987 0.280 -0.725 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 7