REMARK Name = BDB037678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.370 2.306 -0.627 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.120 1.673 -0.766 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.079 0.309 -0.653 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.388 0.068 -1.127 0.00 0.00 +0.087 A ATOM 5 N LIG 1 -1.963 1.212 -1.526 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 1.001 -0.630 -0.262 0.00 0.00 +0.083 C ATOM 7 C LIG 1 2.350 -0.041 -0.700 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.147 2.192 -1.046 0.00 0.00 -0.218 N ATOM 9 C LIG 1 2.496 1.476 -0.419 0.00 0.00 +0.242 C ATOM 10 O LIG 1 3.608 1.935 -0.129 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.839 -0.903 1.228 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.633 -2.236 1.643 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.510 -2.553 2.996 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.596 -1.546 3.948 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.490 -1.847 5.247 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.797 -0.223 3.571 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.922 0.095 2.218 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -1.710 3.471 -0.804 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.749 3.933 -1.625 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.329 5.180 -1.381 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.894 5.954 -0.307 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.893 5.476 0.540 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.309 4.230 0.300 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 3.511 -0.769 -0.179 0.00 0.00 -0.299 N ATOM 25 H LIG 1 4.001 -0.346 0.601 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.804 -2.045 -0.603 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.096 -2.649 -1.404 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.013 -2.700 -0.021 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.050 -1.974 0.587 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.176 -2.638 1.108 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.256 -4.035 1.000 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.233 -4.759 0.386 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.118 -4.094 -0.125 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.310 -1.850 1.723 0.00 0.00 +0.417 C ATOM 35 F LIG 1 9.193 -1.401 0.789 0.00 0.00 -0.166 F ATOM 36 F LIG 1 9.041 -2.572 2.617 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.882 -0.745 2.396 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 2.126 4.516 0.305 0.00 0.00 +0.025 C ATOM 39 C LIG 1 1.654 3.716 -0.904 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.099 -1.248 -1.281 0.00 0.00 +0.173 C BRANCH 40 41 ATOM 41 N LIG 1 -3.308 -1.296 -0.412 0.00 0.00 -0.262 N BRANCH 41 42 ATOM 42 C LIG 1 -3.229 -1.499 0.914 0.00 0.00 +0.169 C ATOM 43 N LIG 1 -3.185 -1.687 2.058 0.00 0.00 -0.174 NA ENDBRANCH 41 42 BRANCH 41 44 ATOM 44 C LIG 1 -4.534 -0.743 -1.066 0.00 0.00 +0.132 C BRANCH 44 45 ATOM 45 C LIG 1 -5.609 -1.841 -1.180 0.00 0.00 +0.103 C BRANCH 45 46 ATOM 46 N LIG 1 -6.774 -1.448 -1.992 0.00 0.00 -0.307 NA ATOM 47 C LIG 1 -7.629 -2.608 -2.254 0.00 0.00 +0.104 C ATOM 48 C LIG 1 -7.559 -0.394 -1.345 0.00 0.00 +0.104 C ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 12