REMARK Name = BDB038938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.344 0.560 -0.847 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.390 -0.149 -0.140 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.040 0.402 -0.105 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.990 -0.539 0.429 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.318 -1.823 0.925 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.320 -2.685 1.402 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.975 -2.303 1.430 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.665 -1.025 0.954 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.517 -0.327 0.821 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.227 0.918 0.300 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.066 1.029 0.070 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.751 -2.291 0.887 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.634 -0.155 0.466 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.731 -1.121 0.892 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.094 1.525 -1.560 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.239 1.997 0.022 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.934 3.250 0.857 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.916 4.379 0.552 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.956 4.704 -0.938 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -2.249 3.464 -1.778 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.266 2.335 -1.477 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.612 0.770 -1.393 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.601 0.067 -0.670 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.831 -0.825 1.191 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -2.681 -1.283 -0.013 0.00 0.00 +0.049 C BRANCH 25 26 ATOM 26 C LIG 1 -4.129 -1.473 0.428 0.00 0.00 -0.039 A ATOM 27 C LIG 1 -4.498 -2.467 1.350 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -5.830 -2.606 1.734 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -6.160 -3.557 2.618 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -6.805 -1.768 1.212 0.00 0.00 +0.158 A ATOM 31 F LIG 1 -8.085 -1.903 1.586 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -6.462 -0.778 0.298 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -5.128 -0.630 -0.092 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -2.104 -2.546 -0.676 0.00 0.00 +0.130 C BRANCH 34 35 ATOM 35 C LIG 1 -2.884 -2.973 -1.889 0.00 0.00 +0.305 C ATOM 36 O LIG 1 -3.337 -4.087 -2.090 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -3.010 -2.002 -2.810 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -3.489 -2.435 -3.549 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8