REMARK Name = BDB039260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.372 -1.603 0.251 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.367 -1.123 -0.570 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.972 -1.135 -0.134 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.020 -0.397 -1.040 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.456 0.233 -2.228 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.554 0.939 -3.034 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.194 1.016 -2.716 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.764 0.365 -1.554 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.468 0.210 -0.945 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.266 -0.469 0.246 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.995 -0.833 0.364 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.918 0.196 -2.596 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.648 -0.317 -0.724 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.614 -1.024 -1.999 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.526 -1.797 -0.117 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.334 -0.758 1.270 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -0.770 -0.658 2.701 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -1.788 -1.042 3.783 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -2.460 -2.385 3.485 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -3.017 -2.467 2.066 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.954 -2.139 1.023 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -2.823 0.045 3.998 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.133 0.937 3.226 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.431 -0.059 5.197 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -4.060 0.692 5.218 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 6.949 -2.330 2.402 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.940 -1.840 1.520 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.756 0.699 -1.446 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.082 0.166 -2.847 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.842 2.232 -1.334 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.262 2.746 -1.382 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.076 2.676 -0.242 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.394 3.133 -0.286 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.910 3.662 -1.468 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.108 3.737 -2.605 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.789 3.282 -2.564 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7