REMARK Name = BDB015075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.908 -0.075 0.727 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.132 0.009 1.331 0.00 0.00 +0.121 A ATOM 3 C LIG 1 3.219 0.004 0.449 0.00 0.00 +0.054 A ATOM 4 C LIG 1 4.543 0.082 0.912 0.00 0.00 -0.014 A ATOM 5 C LIG 1 4.752 0.165 2.297 0.00 0.00 +0.009 A ATOM 6 C LIG 1 3.673 0.171 3.184 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.365 0.093 2.702 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 5.677 0.077 -0.028 0.00 0.00 -0.017 A ATOM 9 C LIG 1 5.742 1.019 -1.075 0.00 0.00 +0.020 A ATOM 10 C LIG 1 6.832 1.002 -1.964 0.00 0.00 +0.020 A ATOM 11 C LIG 1 7.831 0.053 -1.795 0.00 0.00 +0.066 A ATOM 12 N LIG 1 8.731 0.293 -2.800 0.00 0.00 -0.277 N ATOM 13 H LIG 1 9.591 -0.207 -2.992 0.00 0.00 +0.189 HD ATOM 14 N LIG 1 8.399 1.321 -3.602 0.00 0.00 -0.181 NA ATOM 15 C LIG 1 7.808 -0.899 -0.774 0.00 0.00 +0.028 A ATOM 16 C LIG 1 7.242 1.750 -3.090 0.00 0.00 +0.142 A ATOM 17 C LIG 1 6.714 -0.864 0.101 0.00 0.00 +0.010 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.245 -0.040 1.579 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -1.486 -0.140 0.680 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 -1.436 -1.401 -0.010 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -0.555 -1.433 -0.431 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -2.779 -0.050 1.522 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -3.998 0.303 0.761 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -4.297 -0.697 -0.287 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -5.658 -0.528 -0.938 0.00 0.00 -0.030 A ATOM 26 C LIG 1 -6.665 0.243 -0.334 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -7.918 0.363 -0.950 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -8.179 -0.301 -2.148 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.191 -1.083 -2.741 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.371 0.985 0.943 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -5.938 -1.198 -2.139 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.148 0.420 1.674 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7