REMARK Name = BDB020436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.875 -0.989 1.198 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.521 -0.899 0.865 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.759 -1.589 1.001 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.675 -0.661 0.268 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.982 0.554 -0.320 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.008 0.560 -1.852 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.480 1.869 0.284 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -3.006 -0.995 0.286 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.860 -0.140 -0.335 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.504 0.496 -1.023 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.412 -2.003 0.861 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.386 0.253 0.157 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.603 0.825 0.084 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.896 1.689 -0.363 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.533 0.083 0.728 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.735 -2.186 2.321 0.00 0.00 +0.249 C ATOM 17 N LIG 1 2.431 -2.011 1.932 0.00 0.00 -0.265 N ATOM 18 H LIG 1 1.787 -2.651 2.375 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 4.000 -2.984 3.221 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 7.068 -0.235 0.491 0.00 0.00 +0.076 A ATOM 21 C LIG 1 6.894 -0.193 1.893 0.00 0.00 +0.142 A ATOM 22 C LIG 1 5.791 -0.822 2.477 0.00 0.00 +0.060 A ATOM 23 C LIG 1 4.856 -1.478 1.668 0.00 0.00 +0.041 A ATOM 24 C LIG 1 5.044 -1.549 0.285 0.00 0.00 +0.015 A ATOM 25 C LIG 1 6.142 -0.917 -0.303 0.00 0.00 +0.028 A BRANCH 20 27 ATOM 26 C LIG 1 8.609 0.520 -1.336 0.00 0.00 +0.241 C ATOM 27 N LIG 1 8.200 0.430 -0.030 0.00 0.00 -0.279 N ATOM 28 H LIG 1 8.779 0.852 0.688 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 8.096 -0.005 -2.317 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 10.239 2.361 -0.793 0.00 0.00 +0.013 C ATOM 31 C LIG 1 9.857 1.312 -1.534 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 BRANCH 21 32 ATOM 32 O LIG 1 7.867 0.492 2.588 0.00 0.00 -0.493 OA ATOM 33 C LIG 1 7.757 0.502 4.007 0.00 0.00 +0.277 C ENDBRANCH 21 32 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 34 ATOM 34 C LIG 1 -5.302 -0.381 -0.391 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 C LIG 1 -5.973 0.959 -0.668 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -6.137 1.865 0.397 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.706 3.123 0.190 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.113 3.500 -1.086 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.950 2.621 -2.154 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.379 1.362 -1.949 0.00 0.00 +0.005 A ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -5.632 -1.546 -1.384 0.00 0.00 +0.111 C BRANCH 41 42 ATOM 42 N LIG 1 -7.064 -1.851 -1.607 0.00 0.00 -0.306 NA ATOM 43 C LIG 1 -7.201 -2.882 -2.639 0.00 0.00 +0.104 C ATOM 44 C LIG 1 -7.719 -2.294 -0.375 0.00 0.00 +0.104 C ENDBRANCH 41 42 ENDBRANCH 34 41 ENDBRANCH 9 34 TORSDOF 9