REMARK Name = BDB016693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.740 -1.405 0.409 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.313 -1.213 -0.919 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.943 -1.258 -1.200 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.974 -1.494 -0.233 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.727 -1.447 -0.936 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.924 -1.235 -2.249 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.397 -1.723 1.089 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.253 -1.105 -2.368 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.634 -0.916 -3.287 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.768 -1.676 1.386 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.188 3.190 -0.297 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.351 1.934 0.306 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.533 1.233 0.118 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.035 -0.097 0.605 0.00 0.00 +0.081 C ATOM 15 C LIG 1 6.211 -1.360 0.753 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.436 -0.186 0.044 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.652 0.965 -0.694 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.522 1.151 -1.169 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 9.211 -1.111 0.219 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.704 -0.611 1.976 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.545 1.814 -0.658 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.423 3.047 -1.264 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.222 3.739 -1.078 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.733 5.040 -0.658 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.979 3.781 -0.046 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.625 -1.611 -0.401 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -1.585 -2.333 -1.122 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -2.884 -2.505 -0.624 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -3.242 -1.949 0.603 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -2.291 -1.218 1.319 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -0.994 -1.044 0.823 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 O LIG 1 -4.460 -2.036 1.213 0.00 0.00 -0.491 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.530 -2.705 0.544 0.00 0.00 +0.244 C BRANCH 33 34 ATOM 34 C LIG 1 -6.261 -1.794 -0.464 0.00 0.00 +0.125 C BRANCH 34 35 ATOM 35 N LIG 1 -6.897 -0.597 0.118 0.00 0.00 -0.299 NA ATOM 36 C LIG 1 -7.413 0.300 -0.914 0.00 0.00 +0.084 C ATOM 37 C LIG 1 -7.782 1.658 -0.306 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -8.422 1.547 1.079 0.00 0.00 +0.002 C ATOM 39 C LIG 1 -8.992 0.156 1.307 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -7.916 -0.925 1.127 0.00 0.00 +0.084 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 7