REMARK Name = BDB023872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.436 4.677 3.334 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -2.709 3.538 2.492 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -3.055 2.720 2.970 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -1.845 3.236 1.469 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -2.175 2.092 0.757 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -1.236 1.738 -0.323 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -1.504 0.352 -0.801 0.00 0.00 +0.019 A ATOM 8 C LIG 1 -0.773 -0.476 -1.687 0.00 0.00 +0.100 A ATOM 9 N LIG 1 -1.407 -1.641 -1.886 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -2.508 -1.584 -1.106 0.00 0.00 -0.264 N ATOM 11 C LIG 1 -2.612 -0.393 -0.449 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -3.659 0.079 0.491 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -3.568 1.615 0.607 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -0.855 3.919 1.221 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 0.480 -0.180 -2.361 0.00 0.00 +0.028 A ATOM 16 C LIG 1 1.722 -0.105 -1.683 0.00 0.00 -0.005 A ATOM 17 C LIG 1 2.864 0.247 -2.432 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.119 0.350 -1.806 0.00 0.00 +0.019 A ATOM 19 C LIG 1 4.272 0.100 -0.433 0.00 0.00 -0.006 A ATOM 20 C LIG 1 3.159 -0.284 0.330 0.00 0.00 +0.026 A ATOM 21 C LIG 1 2.705 0.487 -3.800 0.00 0.00 +0.119 A ATOM 22 N LIG 1 1.535 0.399 -4.468 0.00 0.00 -0.262 NA ATOM 23 C LIG 1 1.902 -0.373 -0.303 0.00 0.00 +0.019 A ATOM 24 C LIG 1 0.453 0.059 -3.732 0.00 0.00 +0.121 A BRANCH 19 25 ATOM 25 C LIG 1 5.595 0.233 0.139 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.937 1.135 1.123 0.00 0.00 +0.116 A ATOM 27 N LIG 1 7.271 0.957 1.353 0.00 0.00 -0.274 N ATOM 28 C LIG 1 8.092 1.671 2.300 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.824 0.004 0.580 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.806 -0.424 -0.171 0.00 0.00 +0.142 A ENDBRANCH 19 25 BRANCH 20 31 ATOM 31 C LIG 1 3.261 -0.599 1.802 0.00 0.00 +0.372 C ATOM 32 F LIG 1 2.191 -1.307 2.273 0.00 0.00 -0.204 F ATOM 33 F LIG 1 3.315 0.522 2.575 0.00 0.00 -0.204 F ENDBRANCH 20 31 ENDBRANCH 8 15 BRANCH 10 34 ATOM 34 C LIG 1 -3.398 -2.738 -1.092 0.00 0.00 +0.112 C ATOM 35 C LIG 1 -4.718 -2.468 -1.828 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -5.854 -3.306 -1.256 0.00 0.00 +0.162 C ATOM 37 O LIG 1 -5.370 -4.592 -0.892 0.00 0.00 -0.380 OA ATOM 38 C LIG 1 -4.484 -4.570 0.228 0.00 0.00 +0.162 C ATOM 39 C LIG 1 -3.638 -3.302 0.308 0.00 0.00 +0.055 C ENDBRANCH 10 34 TORSDOF 4