REMARK Name = BDB065357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.085 -0.324 0.510 0.00 0.00 +0.004 A ATOM 2 C LIG 1 -2.970 -0.093 1.572 0.00 0.00 +0.010 A ATOM 3 C LIG 1 -4.046 0.789 1.433 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -4.264 1.460 0.223 0.00 0.00 -0.028 A ATOM 5 C LIG 1 -3.383 1.233 -0.841 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -2.305 0.351 -0.698 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 0.812 -2.433 0.450 0.00 0.00 -0.251 N ATOM 8 N LIG 1 0.318 -2.721 1.664 0.00 0.00 -0.065 NA ATOM 9 N LIG 1 -0.777 -1.991 1.826 0.00 0.00 -0.130 NA ATOM 10 C LIG 1 -0.976 -1.247 0.688 0.00 0.00 +0.113 A ATOM 11 C LIG 1 0.034 -1.527 -0.207 0.00 0.00 +0.138 A BRANCH 7 12 ATOM 12 C LIG 1 2.015 -3.082 -0.022 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 C LIG 1 3.292 -2.577 0.653 0.00 0.00 +0.023 C BRANCH 13 14 ATOM 14 C LIG 1 3.636 -1.136 0.263 0.00 0.00 +0.002 C BRANCH 14 15 ATOM 15 C LIG 1 4.881 -0.591 0.971 0.00 0.00 +0.001 C BRANCH 15 16 ATOM 16 C LIG 1 6.170 -1.331 0.596 0.00 0.00 +0.011 C BRANCH 16 17 ATOM 17 C LIG 1 7.413 -0.667 1.190 0.00 0.00 +0.120 C BRANCH 17 18 ATOM 18 C LIG 1 7.787 0.621 0.492 0.00 0.00 +0.307 C ATOM 19 O LIG 1 7.345 0.996 -0.585 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 8.716 1.285 1.237 0.00 0.00 -0.465 OA BRANCH 20 22 ATOM 21 C LIG 1 10.335 2.296 -0.252 0.00 0.00 +0.048 C ATOM 22 C LIG 1 9.175 2.532 0.697 0.00 0.00 +0.229 C ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 C LIG 1 -5.435 2.407 0.073 0.00 0.00 +0.161 C BRANCH 23 24 ATOM 24 N LIG 1 -6.722 1.714 0.074 0.00 0.00 -0.294 N ATOM 25 C LIG 1 -7.516 1.770 1.220 0.00 0.00 +0.350 A ATOM 26 O LIG 1 -7.156 2.389 2.219 0.00 0.00 -0.244 OA ATOM 27 N LIG 1 -8.719 1.107 1.209 0.00 0.00 -0.178 NA ATOM 28 C LIG 1 -9.085 0.436 0.161 0.00 0.00 +0.126 A ATOM 29 C LIG 1 -8.268 0.338 -1.076 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -8.759 -0.440 -2.249 0.00 0.00 +0.049 C ATOM 31 C LIG 1 -7.111 1.003 -1.039 0.00 0.00 +0.097 A BRANCH 28 32 ATOM 32 N LIG 1 -10.296 -0.198 0.261 0.00 0.00 -0.343 N ATOM 33 H LIG 1 -10.625 -0.201 1.223 0.00 0.00 +0.144 HD ATOM 34 H LIG 1 -10.358 -1.114 -0.165 0.00 0.00 +0.144 HD ENDBRANCH 28 32 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 13