REMARK Name = BDB024269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.352 -1.800 0.266 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.092 -3.218 0.756 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.570 -3.470 2.036 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.336 -4.779 2.463 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.632 -5.851 1.624 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.170 -5.617 0.360 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.404 -4.310 -0.070 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.150 -0.856 0.586 0.00 0.00 +0.239 C ATOM 9 N LIG 1 0.970 -1.144 -0.182 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.920 -1.982 -0.750 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.236 0.030 1.436 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.208 -0.472 -0.185 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.227 -1.011 -0.979 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.486 -0.402 -1.041 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.752 0.763 -0.312 0.00 0.00 -0.015 A ATOM 16 C LIG 1 3.731 1.299 0.480 0.00 0.00 +0.010 A ATOM 17 C LIG 1 2.470 0.689 0.541 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.055 1.404 -0.359 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.928 1.365 -1.428 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.016 2.105 -1.064 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.196 2.363 -1.853 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.920 2.628 0.170 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.726 2.204 0.595 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.605 -1.286 0.864 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.366 -0.953 1.803 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.161 -0.166 0.095 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.542 -0.574 0.949 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.405 0.444 0.785 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.870 1.686 0.035 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.672 2.954 0.603 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.078 4.110 -0.070 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.686 4.014 -1.324 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.883 2.757 -1.902 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.476 1.602 -1.228 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.103 5.198 -2.015 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.440 6.156 -2.578 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9