REMARK Name = BDB037634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.565 -1.954 -0.906 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.360 -0.905 -0.417 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.914 0.403 -0.312 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.990 1.155 0.215 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.077 0.374 0.333 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.482 0.794 -0.689 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.360 -0.428 -0.306 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.650 -0.887 0.067 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.822 -1.697 -1.015 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.604 -2.457 -1.601 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.033 2.593 0.527 0.00 0.00 +0.272 C ATOM 12 N LIG 1 -2.771 3.035 1.627 0.00 0.00 -0.257 N ATOM 13 C LIG 1 -3.196 2.381 2.770 0.00 0.00 +0.111 C ATOM 14 C LIG 1 -3.885 3.215 3.564 0.00 0.00 +0.009 C ATOM 15 C LIG 1 -3.987 4.581 2.965 0.00 0.00 +0.049 C ATOM 16 C LIG 1 -3.091 4.460 1.736 0.00 0.00 +0.119 C ATOM 17 O LIG 1 -1.460 3.409 -0.197 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -2.887 1.046 3.162 0.00 0.00 +0.115 C ATOM 19 N LIG 1 -2.638 -0.024 3.541 0.00 0.00 -0.190 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 8 20 ATOM 20 C LIG 1 -3.544 -1.949 0.520 0.00 0.00 +0.114 C ATOM 21 C LIG 1 -4.432 -2.497 -0.600 0.00 0.00 +0.055 C ATOM 22 C LIG 1 -5.299 -3.635 -0.087 0.00 0.00 +0.162 C ATOM 23 O LIG 1 -4.498 -4.616 0.568 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -3.887 -4.105 1.752 0.00 0.00 +0.162 C ATOM 25 C LIG 1 -2.884 -3.020 1.398 0.00 0.00 +0.055 C ENDBRANCH 8 20 BRANCH 7 26 ATOM 26 N LIG 1 2.782 -0.279 -0.614 0.00 0.00 -0.299 N ATOM 27 H LIG 1 3.179 -1.008 -1.198 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 3.595 0.538 0.132 0.00 0.00 +0.245 C ATOM 29 O LIG 1 3.178 1.242 1.044 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 5.046 0.515 -0.198 0.00 0.00 +0.037 A ATOM 31 C LIG 1 5.961 0.870 0.803 0.00 0.00 +0.025 A ATOM 32 C LIG 1 7.343 0.862 0.549 0.00 0.00 +0.056 A ATOM 33 C LIG 1 7.793 0.510 -0.733 0.00 0.00 +0.012 A ATOM 34 C LIG 1 6.884 0.172 -1.737 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.513 0.177 -1.474 0.00 0.00 +0.013 A BRANCH 32 36 ATOM 36 C LIG 1 8.312 1.247 1.639 0.00 0.00 +0.417 C ATOM 37 F LIG 1 8.051 0.620 2.820 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.608 0.948 1.341 0.00 0.00 -0.166 F ATOM 39 F LIG 1 8.290 2.581 1.908 0.00 0.00 -0.166 F ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 7 26 BRANCH 6 40 ATOM 40 C LIG 1 0.618 1.133 -2.170 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.782 1.956 -2.674 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.400 2.539 -2.676 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -1.364 -2.820 -3.077 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -1.053 -3.131 -1.619 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 8