REMARK Name = BDB001284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.899 -0.405 1.730 0.00 0.00 +0.040 C ATOM 2 C LIG 1 0.713 0.412 1.189 0.00 0.00 +0.115 C ATOM 3 N LIG 1 -0.480 -0.369 0.879 0.00 0.00 -0.285 N ATOM 4 C LIG 1 -1.653 0.349 0.684 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -2.760 -0.423 0.450 0.00 0.00 -0.295 N ATOM 6 H LIG 1 -2.737 -1.328 0.896 0.00 0.00 +0.151 HD ATOM 7 O LIG 1 -1.706 1.574 0.749 0.00 0.00 -0.253 OA ATOM 8 C LIG 1 -0.229 -1.667 0.264 0.00 0.00 +0.109 C ATOM 9 C LIG 1 0.579 -2.572 1.183 0.00 0.00 +0.019 C ATOM 10 C LIG 1 1.497 -1.828 2.153 0.00 0.00 +0.009 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.180 -0.292 0.857 0.00 0.00 +0.153 C BRANCH 11 12 ATOM 12 C LIG 1 3.135 -0.969 -0.500 0.00 0.00 -0.019 A ATOM 13 C LIG 1 3.499 -2.315 -0.663 0.00 0.00 +0.006 A ATOM 14 C LIG 1 3.457 -2.924 -1.919 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.058 -2.193 -3.034 0.00 0.00 +0.000 A ATOM 16 C LIG 1 2.707 -0.852 -2.896 0.00 0.00 +0.000 A ATOM 17 C LIG 1 2.749 -0.243 -1.640 0.00 0.00 +0.006 A ENDBRANCH 11 12 BRANCH 11 18 ATOM 18 O LIG 1 4.268 -0.848 1.622 0.00 0.00 -0.372 OA BRANCH 18 19 ATOM 19 C LIG 1 5.373 0.033 1.813 0.00 0.00 +0.163 C BRANCH 19 20 ATOM 20 C LIG 1 6.205 0.202 0.547 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 7.454 1.031 0.812 0.00 0.00 +0.162 C BRANCH 21 22 ATOM 22 O LIG 1 8.168 1.170 -0.414 0.00 0.00 -0.380 OA BRANCH 22 24 ATOM 23 C LIG 1 9.174 3.380 -0.231 0.00 0.00 +0.034 C ATOM 24 C LIG 1 9.398 1.879 -0.277 0.00 0.00 +0.156 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.095 0.166 0.268 0.00 0.00 +0.088 C BRANCH 25 26 ATOM 26 C LIG 1 -4.881 -0.726 -0.716 0.00 0.00 +0.027 C BRANCH 26 27 ATOM 27 C LIG 1 -6.253 -0.233 -1.223 0.00 0.00 -0.009 C ATOM 28 C LIG 1 -6.299 1.262 -1.552 0.00 0.00 +0.003 C ATOM 29 C LIG 1 -7.607 1.655 -2.247 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -8.812 0.824 -1.805 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -8.636 0.264 -0.401 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -7.419 -0.658 -0.308 0.00 0.00 +0.003 C ENDBRANCH 26 27 ENDBRANCH 25 26 BRANCH 25 33 ATOM 33 C LIG 1 -4.812 0.355 1.630 0.00 0.00 +0.100 C BRANCH 33 34 ATOM 34 N LIG 1 -4.025 1.081 2.634 0.00 0.00 -0.328 NA ATOM 35 H LIG 1 -3.199 0.525 2.860 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 -3.616 1.905 2.179 0.00 0.00 +0.118 HD ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 5 25 TORSDOF 13