REMARK Name = BDB024825 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.368 -2.703 -1.295 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.991 -1.364 -1.089 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -6.047 -0.337 -0.976 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.522 -0.195 0.475 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.618 0.990 -1.595 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.370 1.513 -0.922 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.311 0.452 -0.832 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.966 0.844 -0.635 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.446 2.112 -0.520 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.149 1.964 -0.344 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.192 0.627 -0.357 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.961 -0.106 -0.532 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.222 -1.470 -0.606 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.560 -1.855 -0.790 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.617 -0.935 -0.910 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.624 -3.652 -1.515 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.169 -4.215 -1.444 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.727 -2.872 -1.241 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.542 0.084 -0.282 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.160 0.210 1.098 0.00 0.00 +0.233 C ATOM 21 N LIG 1 3.504 -0.011 1.239 0.00 0.00 -0.305 N ATOM 22 H LIG 1 3.802 0.013 2.207 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 1.525 0.514 2.107 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.424 -0.547 0.250 0.00 0.00 +0.200 C BRANCH 24 25 ATOM 25 C LIG 1 4.364 -2.076 0.250 0.00 0.00 +0.233 C ATOM 26 N LIG 1 5.286 -2.754 1.013 0.00 0.00 -0.300 N ATOM 27 C LIG 1 5.281 -4.206 1.081 0.00 0.00 +0.108 C ATOM 28 C LIG 1 6.591 -4.555 1.772 0.00 0.00 +0.020 C ATOM 29 C LIG 1 6.812 -3.366 2.698 0.00 0.00 +0.020 C ATOM 30 C LIG 1 6.321 -2.189 1.866 0.00 0.00 +0.108 C ATOM 31 O LIG 1 3.465 -2.658 -0.361 0.00 0.00 -0.274 OA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 0.828 3.075 -0.127 0.00 0.00 +0.097 C BRANCH 32 33 ATOM 33 C LIG 1 0.297 4.402 -0.657 0.00 0.00 +0.151 C BRANCH 33 34 ATOM 34 N LIG 1 1.235 5.484 -0.421 0.00 0.00 -0.271 N ATOM 35 N LIG 1 2.432 5.486 -1.044 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 3.010 6.609 -0.609 0.00 0.00 +0.134 A ATOM 37 C LIG 1 2.197 7.317 0.294 0.00 0.00 +0.041 A ATOM 38 C LIG 1 1.053 6.562 0.398 0.00 0.00 +0.108 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 8