REMARK Name = BDB039213 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.184 2.237 -0.541 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.452 1.064 -0.605 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.077 1.110 -0.121 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.248 -0.102 -0.465 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.797 -1.217 -1.139 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.999 -2.323 -1.460 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.648 -2.378 -1.104 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.117 -1.279 -0.419 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.141 -0.986 0.082 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.079 0.266 0.670 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.138 0.764 0.568 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.242 -1.189 -1.570 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.887 -0.166 -0.101 0.00 0.00 +0.094 A ATOM 14 C LIG 1 6.073 -0.251 -0.699 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.707 3.328 -0.249 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.215 0.992 1.337 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.465 2.345 0.650 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.576 3.128 1.346 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -2.280 3.325 2.837 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -2.021 1.984 3.528 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.916 1.192 2.832 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -3.423 4.045 3.519 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -4.559 4.187 3.102 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.069 4.551 4.717 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.884 4.988 5.040 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.284 3.243 -0.794 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.499 2.051 -0.842 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.299 -1.883 -0.020 0.00 0.00 +0.086 C ATOM 29 C LIG 1 -1.704 -2.426 1.354 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.468 -1.253 -0.813 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -3.022 -2.160 -1.937 0.00 0.00 +0.017 C ATOM 32 C LIG 1 -4.051 -1.399 -2.794 0.00 0.00 +0.163 C ATOM 33 O LIG 1 -5.363 -1.606 -2.281 0.00 0.00 -0.379 OA ATOM 34 C LIG 1 -5.822 -2.945 -2.484 0.00 0.00 +0.160 C ATOM 35 C LIG 1 -4.719 -3.987 -2.301 0.00 0.00 +0.028 C ATOM 36 C LIG 1 -3.631 -3.458 -1.376 0.00 0.00 +0.008 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7