REMARK Name = BDB029437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.784 -0.855 -1.955 0.00 0.00 -0.308 N ATOM 2 H LIG 1 1.291 -1.255 -2.741 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 1.540 -0.582 -0.835 0.00 0.00 +0.262 C ATOM 4 O LIG 1 1.069 -0.233 0.241 0.00 0.00 -0.269 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 3.018 -0.742 -1.031 0.00 0.00 +0.126 A ATOM 6 N LIG 1 3.415 -1.224 -2.242 0.00 0.00 -0.250 NA ATOM 7 C LIG 1 4.744 -1.364 -2.417 0.00 0.00 +0.112 A ATOM 8 C LIG 1 5.689 -1.039 -1.453 0.00 0.00 +0.028 A ATOM 9 C LIG 1 5.266 -0.545 -0.212 0.00 0.00 -0.014 A ATOM 10 C LIG 1 3.890 -0.399 -0.006 0.00 0.00 +0.041 A BRANCH 9 11 ATOM 11 C LIG 1 6.236 -0.189 0.838 0.00 0.00 -0.016 A ATOM 12 C LIG 1 7.320 0.663 0.556 0.00 0.00 +0.032 A ATOM 13 C LIG 1 8.196 0.965 1.579 0.00 0.00 +0.038 A ATOM 14 N LIG 1 9.310 1.787 1.523 0.00 0.00 -0.285 N ATOM 15 H LIG 1 9.640 2.288 0.711 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 9.940 1.868 2.759 0.00 0.00 +0.222 C ATOM 17 C LIG 1 9.152 0.987 3.737 0.00 0.00 +0.133 C ATOM 18 O LIG 1 10.940 2.522 3.006 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.046 0.465 2.868 0.00 0.00 -0.017 A ATOM 20 C LIG 1 6.993 -0.368 3.179 0.00 0.00 +0.006 A ATOM 21 C LIG 1 6.090 -0.690 2.158 0.00 0.00 +0.009 A ENDBRANCH 9 11 ENDBRANCH 3 5 BRANCH 1 22 ATOM 22 C LIG 1 -0.661 -0.904 -1.932 0.00 0.00 +0.132 C BRANCH 22 23 ATOM 23 C LIG 1 -1.320 0.451 -1.647 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 O LIG 1 -2.724 0.447 -1.930 0.00 0.00 -0.376 OA BRANCH 24 25 ATOM 25 C LIG 1 -3.486 -0.297 -0.978 0.00 0.00 +0.188 C BRANCH 25 26 ATOM 26 C LIG 1 -4.973 -0.079 -1.257 0.00 0.00 +0.188 C BRANCH 26 27 ATOM 27 O LIG 1 -5.798 -0.858 -0.390 0.00 0.00 -0.375 OA BRANCH 27 28 ATOM 28 C LIG 1 -6.042 -0.265 0.891 0.00 0.00 +0.188 C BRANCH 28 29 ATOM 29 C LIG 1 -7.146 0.799 0.857 0.00 0.00 +0.188 C BRANCH 29 30 ATOM 30 O LIG 1 -8.466 0.249 0.760 0.00 0.00 -0.376 OA BRANCH 30 31 ATOM 31 C LIG 1 -8.743 -0.354 -0.505 0.00 0.00 +0.186 C BRANCH 31 32 ATOM 32 C LIG 1 -10.256 -0.547 -0.661 0.00 0.00 +0.209 C BRANCH 32 35 ATOM 33 N LIG 1 -10.467 2.258 -2.414 0.00 0.00 +0.068 NA ATOM 34 N LIG 1 -10.720 1.532 -1.571 0.00 0.00 -0.167 NA ATOM 35 N LIG 1 -10.990 0.733 -0.655 0.00 0.00 -0.108 NA ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 14