REMARK Name = BDB021176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.158 0.026 -0.640 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -0.681 -1.298 -0.842 0.00 0.00 +0.150 A ATOM 3 N LIG 1 0.647 -1.436 -1.192 0.00 0.00 -0.271 N ATOM 4 C LIG 1 0.865 -2.772 -1.417 0.00 0.00 +0.129 A ATOM 5 C LIG 1 -0.327 -3.402 -1.127 0.00 0.00 +0.144 A ATOM 6 C LIG 1 1.515 -0.335 -1.317 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.057 0.880 -1.159 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -1.286 -2.467 -0.765 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -0.267 1.026 -0.806 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.183 1.348 -2.467 0.00 0.00 +0.066 C ATOM 11 C LIG 1 -3.478 0.966 -1.045 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -2.534 0.350 -0.236 0.00 0.00 +0.026 A ATOM 13 C LIG 1 -2.983 0.021 1.028 0.00 0.00 +0.123 A ATOM 14 N LIG 1 -4.221 0.293 1.493 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -5.066 0.918 0.651 0.00 0.00 +0.132 A ATOM 16 N LIG 1 -4.728 1.259 -0.610 0.00 0.00 -0.236 NA BRANCH 15 17 ATOM 17 C LIG 1 -6.459 1.236 1.134 0.00 0.00 +0.057 C ATOM 18 C LIG 1 -6.987 2.652 1.056 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -6.661 2.053 2.391 0.00 0.00 +0.012 C ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 20 ATOM 20 C LIG 1 -0.593 -4.836 -1.194 0.00 0.00 +0.261 C ATOM 21 O LIG 1 0.239 -5.677 -1.514 0.00 0.00 -0.269 OA ATOM 22 N LIG 1 -1.874 -5.168 -0.862 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.160 -6.134 -0.880 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -2.527 -4.435 -0.608 0.00 0.00 +0.145 HD ENDBRANCH 5 20 BRANCH 6 25 ATOM 25 N LIG 1 2.847 -0.504 -1.633 0.00 0.00 -0.310 N ATOM 26 H LIG 1 3.227 0.419 -1.834 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 3.746 -1.190 -0.706 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 4.034 -0.339 0.498 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.014 0.648 0.506 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.997 1.036 -0.533 0.00 0.00 +0.080 C ATOM 31 C LIG 1 6.499 2.346 0.075 0.00 0.00 +0.234 C ATOM 32 O LIG 1 6.258 2.325 1.500 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 5.245 1.413 1.644 0.00 0.00 +0.124 A ATOM 34 C LIG 1 4.525 1.243 2.809 0.00 0.00 +0.049 A ATOM 35 C LIG 1 3.523 0.273 2.817 0.00 0.00 +0.042 A ATOM 36 C LIG 1 3.286 -0.499 1.673 0.00 0.00 +0.129 A ATOM 37 F LIG 1 2.313 -1.422 1.715 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6