REMARK Name = BDB041151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.162 -0.139 -0.192 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.830 0.009 -0.305 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -2.053 -0.977 0.183 0.00 0.00 +0.165 A ATOM 4 C LIG 1 -2.588 -2.112 0.800 0.00 0.00 +0.178 A ATOM 5 C LIG 1 -3.964 -2.152 0.868 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -4.773 -1.186 0.389 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -5.902 0.775 -1.721 0.00 0.00 +0.229 A ATOM 8 C LIG 1 -4.996 0.944 -0.683 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -4.939 2.230 -0.144 0.00 0.00 +0.062 A ATOM 10 N LIG 1 -5.718 3.237 -0.625 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 -6.552 2.946 -1.628 0.00 0.00 +0.225 A ATOM 12 N LIG 1 -6.690 1.755 -2.211 0.00 0.00 -0.201 NA BRANCH 9 13 ATOM 13 C LIG 1 -4.007 2.584 1.004 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -4.275 2.040 2.390 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -4.477 3.498 2.113 0.00 0.00 +0.010 C ENDBRANCH 9 13 BRANCH 7 17 ATOM 16 C LIG 1 -6.984 -0.584 -3.309 0.00 0.00 +0.279 C ATOM 17 O LIG 1 -5.967 -0.473 -2.320 0.00 0.00 -0.479 OA ENDBRANCH 7 17 ENDBRANCH 1 8 BRANCH 3 18 ATOM 18 N LIG 1 -0.646 -0.829 0.151 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -0.250 -1.745 -0.048 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -0.155 0.226 -0.730 0.00 0.00 +0.110 C BRANCH 20 21 ATOM 21 C LIG 1 1.383 0.366 -0.650 0.00 0.00 -0.014 C ATOM 22 C LIG 1 1.830 1.534 -1.564 0.00 0.00 +0.009 C ATOM 23 C LIG 1 3.350 1.736 -1.510 0.00 0.00 +0.013 C ATOM 24 C LIG 1 4.020 0.697 -0.576 0.00 0.00 +0.013 C ATOM 25 C LIG 1 3.639 -0.716 -1.090 0.00 0.00 +0.013 C ATOM 26 C LIG 1 3.381 0.866 0.829 0.00 0.00 +0.013 C ATOM 27 C LIG 1 2.116 -0.911 -1.119 0.00 0.00 +0.009 C ATOM 28 C LIG 1 1.857 0.689 0.783 0.00 0.00 +0.009 C BRANCH 24 29 ATOM 29 C LIG 1 5.537 0.870 -0.618 0.00 0.00 +0.047 A ATOM 30 N LIG 1 6.122 0.705 -1.834 0.00 0.00 -0.259 NA ATOM 31 C LIG 1 7.464 0.847 -1.936 0.00 0.00 +0.123 A ATOM 32 C LIG 1 8.289 1.161 -0.872 0.00 0.00 +0.073 A ATOM 33 C LIG 1 7.685 1.321 0.376 0.00 0.00 +0.015 A ATOM 34 C LIG 1 6.303 1.178 0.505 0.00 0.00 +0.024 A BRANCH 32 35 ATOM 35 C LIG 1 9.767 1.277 -1.067 0.00 0.00 +0.419 C ATOM 36 F LIG 1 10.117 1.651 -2.329 0.00 0.00 -0.166 F ATOM 37 F LIG 1 10.343 2.191 -0.237 0.00 0.00 -0.166 F ATOM 38 F LIG 1 10.415 0.103 -0.833 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 24 29 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 3 18 BRANCH 4 39 ATOM 39 O LIG 1 -1.709 -3.055 1.251 0.00 0.00 -0.484 OA BRANCH 39 40 ATOM 40 C LIG 1 -2.210 -4.236 1.887 0.00 0.00 +0.168 C ATOM 41 C LIG 1 -1.132 -5.306 1.728 0.00 0.00 +0.051 C ATOM 42 C LIG 1 -2.463 -3.968 3.368 0.00 0.00 +0.051 C ENDBRANCH 39 40 ENDBRANCH 4 39 TORSDOF 10