REMARK Name = BDB032750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.377 -0.587 -1.722 0.00 0.00 -0.010 A ATOM 2 C LIG 1 3.222 0.302 -1.041 0.00 0.00 +0.020 A ATOM 3 C LIG 1 4.429 -0.188 -0.577 0.00 0.00 +0.042 A ATOM 4 C LIG 1 5.494 0.516 0.146 0.00 0.00 +0.248 C ATOM 5 N LIG 1 6.463 -0.428 0.455 0.00 0.00 -0.282 N ATOM 6 C LIG 1 6.184 -1.714 -0.170 0.00 0.00 +0.144 C ATOM 7 O LIG 1 5.493 1.707 0.390 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.829 -1.510 -0.757 0.00 0.00 -0.018 A ATOM 9 C LIG 1 4.005 -2.402 -1.418 0.00 0.00 +0.006 A ATOM 10 C LIG 1 2.773 -1.935 -1.894 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 7.792 -0.106 0.962 0.00 0.00 +0.163 C ATOM 12 C LIG 1 8.684 0.476 -0.145 0.00 0.00 +0.240 C ATOM 13 O LIG 1 8.585 0.165 -1.332 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 9.710 1.293 0.273 0.00 0.00 -0.255 N ATOM 15 H LIG 1 10.320 1.640 -0.455 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 10.082 1.585 1.561 0.00 0.00 +0.219 C ATOM 17 O LIG 1 11.120 2.200 1.794 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 9.208 1.032 2.663 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.782 0.816 2.182 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 1.037 -0.120 -2.233 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.066 -0.402 -1.223 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -2.023 -0.369 -0.529 0.00 0.00 -0.250 N ATOM 23 H LIG 1 -1.538 -0.765 0.264 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -1.201 -0.059 -1.573 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -1.502 0.436 -2.648 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 -6.172 0.048 -0.046 0.00 0.00 +0.121 A ATOM 27 N LIG 1 -5.401 -0.462 0.940 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 -4.067 -0.575 0.727 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -3.415 -0.196 -0.440 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -4.207 0.338 -1.443 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -5.587 0.462 -1.242 0.00 0.00 +0.045 A BRANCH 26 35 ATOM 32 C LIG 1 -9.981 1.362 1.690 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -9.591 -0.055 1.271 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -8.088 -0.312 1.435 0.00 0.00 +0.109 C ATOM 35 N LIG 1 -7.520 0.174 0.182 0.00 0.00 -0.315 N ATOM 36 C LIG 1 -8.518 0.248 -0.875 0.00 0.00 +0.107 C ATOM 37 C LIG 1 -9.796 -0.289 -0.226 0.00 0.00 +0.024 C ENDBRANCH 26 35 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6