REMARK Name = BDB018149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.708 -2.210 0.080 0.00 0.00 +0.252 C ATOM 2 C LIG 1 -2.251 -2.302 -1.380 0.00 0.00 +0.198 C ATOM 3 C LIG 1 -0.739 -2.426 -1.204 0.00 0.00 +0.122 C ATOM 4 C LIG 1 0.047 -2.159 -2.479 0.00 0.00 +0.047 C ATOM 5 C LIG 1 -0.471 -1.511 0.005 0.00 0.00 +0.192 C ATOM 6 O LIG 1 -1.651 -1.580 0.840 0.00 0.00 -0.344 OA ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -7.290 1.685 0.521 0.00 0.00 -0.066 NA ATOM 8 C LIG 1 -6.083 1.410 0.151 0.00 0.00 +0.182 A ATOM 9 C LIG 1 -5.529 0.090 0.378 0.00 0.00 +0.064 A ATOM 10 C LIG 1 -6.056 -1.082 0.966 0.00 0.00 +0.033 A ATOM 11 C LIG 1 -5.066 -2.040 0.907 0.00 0.00 +0.091 A ATOM 12 N LIG 1 -3.953 -1.489 0.301 0.00 0.00 -0.303 N ATOM 13 C LIG 1 -4.227 -0.183 -0.027 0.00 0.00 +0.148 A ATOM 14 N LIG 1 -3.353 0.665 -0.646 0.00 0.00 -0.220 NA ATOM 15 C LIG 1 -3.887 1.837 -0.832 0.00 0.00 +0.200 A ATOM 16 N LIG 1 -5.156 2.211 -0.470 0.00 0.00 -0.328 N ATOM 17 H LIG 1 -5.479 3.148 -0.660 0.00 0.00 +0.168 HD BRANCH 7 19 ATOM 18 C LIG 1 -8.932 3.281 0.612 0.00 0.00 +0.313 C ATOM 19 O LIG 1 -7.597 3.019 0.194 0.00 0.00 -0.395 OA ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 2 20 ATOM 20 O LIG 1 -2.777 -3.446 -2.063 0.00 0.00 -0.384 OA ATOM 21 H LIG 1 -2.213 -4.195 -1.777 0.00 0.00 +0.210 HD ENDBRANCH 2 20 BRANCH 3 22 ATOM 22 O LIG 1 -0.482 -3.805 -0.830 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 0.477 -3.891 -0.673 0.00 0.00 +0.210 HD ENDBRANCH 3 22 BRANCH 5 24 ATOM 24 C LIG 1 -0.184 -0.039 -0.323 0.00 0.00 +0.263 C BRANCH 24 25 ATOM 25 O LIG 1 1.149 0.138 -0.810 0.00 0.00 -0.489 OA BRANCH 25 26 ATOM 26 C LIG 1 2.163 0.290 0.093 0.00 0.00 +0.123 A ATOM 27 C LIG 1 3.426 0.473 -0.483 0.00 0.00 +0.074 A ATOM 28 C LIG 1 4.574 0.634 0.282 0.00 0.00 +0.077 A ATOM 29 C LIG 1 4.442 0.613 1.684 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.598 0.778 2.452 0.00 0.00 +0.013 A ATOM 31 C LIG 1 6.822 0.953 1.817 0.00 0.00 +0.048 A ATOM 32 C LIG 1 6.867 0.952 0.429 0.00 0.00 +0.151 A ATOM 33 C LIG 1 3.181 0.430 2.274 0.00 0.00 +0.013 A ATOM 34 N LIG 1 5.760 0.804 -0.329 0.00 0.00 -0.228 NA ATOM 35 C LIG 1 2.045 0.268 1.479 0.00 0.00 +0.046 A BRANCH 32 36 ATOM 36 N LIG 1 8.079 1.151 -0.253 0.00 0.00 -0.249 N ATOM 37 H LIG 1 7.899 0.927 -1.231 0.00 0.00 +0.196 HD BRANCH 36 38 ATOM 38 O LIG 1 9.246 0.570 0.255 0.00 0.00 -0.276 OA ATOM 39 C LIG 1 10.303 1.487 -0.009 0.00 0.00 +0.229 C ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 9