REMARK Name = BDB034586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.523 -0.269 -0.509 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.340 -0.685 -0.836 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.432 0.577 0.588 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.355 1.083 1.213 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.109 -0.691 -1.564 0.00 0.00 -0.006 A ATOM 6 C LIG 1 -2.977 -0.231 -0.862 0.00 0.00 +0.030 A ATOM 7 C LIG 1 -1.695 -0.691 -1.171 0.00 0.00 +0.034 A ATOM 8 C LIG 1 -1.542 -1.621 -2.205 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -2.652 -2.092 -2.908 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.929 -1.634 -2.588 0.00 0.00 +0.007 A BRANCH 5 11 ATOM 11 C LIG 1 -5.497 -0.171 -1.175 0.00 0.00 +0.172 C ATOM 12 F LIG 1 -5.395 0.905 -0.321 0.00 0.00 -0.234 F ATOM 13 C LIG 1 -6.233 0.361 -2.412 0.00 0.00 +0.056 C BRANCH 11 14 ATOM 14 C LIG 1 -6.290 -1.282 -0.440 0.00 0.00 +0.274 C ATOM 15 F LIG 1 -5.567 -1.728 0.634 0.00 0.00 -0.233 F BRANCH 14 18 ATOM 16 C LIG 1 -6.999 -0.003 2.317 0.00 0.00 +0.151 C ATOM 17 N LIG 1 -7.909 -0.258 1.232 0.00 0.00 -0.318 N ATOM 18 C LIG 1 -7.635 -0.828 0.015 0.00 0.00 +0.171 A ATOM 19 N LIG 1 -8.757 -0.904 -0.676 0.00 0.00 -0.132 NA ATOM 20 N LIG 1 -9.766 -0.367 0.086 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 -9.243 0.015 1.227 0.00 0.00 +0.224 A ENDBRANCH 14 18 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 0.971 0.866 1.010 0.00 0.00 +0.129 A ATOM 23 N LIG 1 1.274 0.597 2.296 0.00 0.00 -0.227 NA ATOM 24 C LIG 1 2.537 0.834 2.680 0.00 0.00 +0.133 A ATOM 25 N LIG 1 3.483 1.310 1.842 0.00 0.00 -0.235 NA ATOM 26 C LIG 1 3.139 1.570 0.561 0.00 0.00 +0.059 A ATOM 27 C LIG 1 1.864 1.361 0.089 0.00 0.00 +0.057 A BRANCH 24 28 ATOM 28 C LIG 1 2.919 0.554 4.111 0.00 0.00 +0.057 C ATOM 29 C LIG 1 4.108 -0.327 4.425 0.00 0.00 +0.012 C ATOM 30 C LIG 1 2.721 -0.827 4.694 0.00 0.00 +0.012 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 4.223 2.087 -0.368 0.00 0.00 +0.140 C BRANCH 31 32 ATOM 32 N LIG 1 4.466 1.187 -1.518 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 5.208 -0.025 -1.096 0.00 0.00 +0.091 C ATOM 34 C LIG 1 6.662 0.365 -1.204 0.00 0.00 -0.015 C ATOM 35 C LIG 1 7.733 -0.699 -1.301 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.607 0.116 -0.048 0.00 0.00 +0.009 C ATOM 37 C LIG 1 6.772 1.636 -1.993 0.00 0.00 +0.023 C ATOM 38 C LIG 1 5.352 1.831 -2.511 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 3 22 TORSDOF 8