REMARK Name = BDB064908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.966 1.200 -0.146 0.00 0.00 +0.201 C ATOM 2 N LIG 1 -0.459 1.278 -1.503 0.00 0.00 -0.264 N ATOM 3 C LIG 1 0.360 0.346 -2.120 0.00 0.00 +0.256 C ATOM 4 O LIG 1 1.050 0.654 -3.096 0.00 0.00 -0.272 OA ATOM 5 C LIG 1 -0.398 2.666 -1.960 0.00 0.00 +0.161 C ATOM 6 C LIG 1 -1.099 2.908 -3.286 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.066 3.425 -0.821 0.00 0.00 +0.237 C ATOM 8 O LIG 1 -1.227 4.636 -0.771 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -1.425 2.522 0.164 0.00 0.00 -0.280 N ATOM 10 C LIG 1 -1.862 2.913 1.483 0.00 0.00 +0.134 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.231 0.025 -0.585 0.00 0.00 +0.169 A ATOM 12 C LIG 1 -2.014 0.130 0.116 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -1.759 -0.798 1.145 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -2.650 -1.841 1.414 0.00 0.00 +0.130 A ATOM 15 C LIG 1 -3.818 -1.985 0.661 0.00 0.00 +0.082 A ATOM 16 C LIG 1 -4.110 -1.061 -0.349 0.00 0.00 +0.164 A BRANCH 14 17 ATOM 17 N LIG 1 -2.342 -2.800 2.485 0.00 0.00 +0.057 N ATOM 18 O LIG 1 -3.154 -3.710 2.692 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 -1.287 -2.638 3.120 0.00 0.00 -0.126 OA ENDBRANCH 14 17 BRANCH 16 20 ATOM 20 O LIG 1 -5.213 -1.151 -1.159 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -6.041 -2.302 -1.050 0.00 0.00 +0.277 C ENDBRANCH 16 20 BRANCH 11 22 ATOM 22 O LIG 1 -3.485 1.000 -1.521 0.00 0.00 -0.488 OA BRANCH 22 24 ATOM 23 C LIG 1 -4.713 3.052 -1.790 0.00 0.00 +0.048 C ATOM 24 C LIG 1 -4.793 1.581 -1.422 0.00 0.00 +0.226 C ENDBRANCH 22 24 ENDBRANCH 11 22 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 C LIG 1 0.342 -1.095 -1.593 0.00 0.00 +0.326 C BRANCH 25 26 ATOM 26 O LIG 1 1.336 -1.929 -2.175 0.00 0.00 -0.467 OA BRANCH 26 27 ATOM 27 C LIG 1 2.593 -1.738 -1.638 0.00 0.00 +0.216 A ATOM 28 N LIG 1 2.719 -1.218 -0.396 0.00 0.00 -0.212 NA ATOM 29 C LIG 1 3.956 -1.128 0.133 0.00 0.00 +0.082 A ATOM 30 C LIG 1 5.110 -1.542 -0.598 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.397 -1.441 -0.045 0.00 0.00 +0.059 A ATOM 32 C LIG 1 6.512 -0.944 1.230 0.00 0.00 +0.167 A ATOM 33 O LIG 1 7.674 -0.789 1.918 0.00 0.00 -0.453 OA ATOM 34 C LIG 1 7.183 -0.262 3.166 0.00 0.00 +0.466 C ATOM 35 O LIG 1 5.750 -0.099 3.190 0.00 0.00 -0.452 OA ATOM 36 C LIG 1 5.412 -0.551 1.949 0.00 0.00 +0.172 A ATOM 37 C LIG 1 4.932 -2.064 -1.882 0.00 0.00 +0.015 A ATOM 38 C LIG 1 4.127 -0.626 1.431 0.00 0.00 +0.035 A ATOM 39 C LIG 1 3.653 -2.178 -2.407 0.00 0.00 +0.068 A BRANCH 38 40 ATOM 40 C LIG 1 2.939 -0.227 2.266 0.00 0.00 +0.161 C BRANCH 40 41 ATOM 41 C LIG 1 2.169 -1.409 2.802 0.00 0.00 +0.309 C ATOM 42 O LIG 1 2.505 -2.580 2.830 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 0.974 -1.028 3.309 0.00 0.00 -0.480 OA ATOM 44 H LIG 1 0.540 -1.872 3.587 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 11