REMARK Name = BDB024807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.894 -3.734 -0.127 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.016 -2.336 -0.066 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.295 -1.742 0.370 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.213 -1.473 -0.828 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.076 -0.511 1.246 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.283 0.543 0.505 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.061 -0.042 -0.144 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.990 0.813 -0.497 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.870 2.171 -0.320 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.318 2.503 -0.786 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.985 1.389 -1.248 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.142 0.305 -1.115 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.261 -1.038 -1.455 0.00 0.00 +0.030 A ATOM 14 C LIG 1 0.803 -1.879 -1.109 0.00 0.00 +0.026 A ATOM 15 C LIG 1 1.952 -1.428 -0.437 0.00 0.00 +0.045 A ATOM 16 O LIG 1 1.860 -4.373 -0.299 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.035 -5.792 -0.002 0.00 0.00 +0.282 C ATOM 18 O LIG 1 4.096 -4.366 0.049 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.341 1.316 -1.762 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -3.282 0.719 -0.732 0.00 0.00 +0.233 C ATOM 21 N LIG 1 -3.943 -0.421 -1.142 0.00 0.00 -0.307 N ATOM 22 H LIG 1 -3.556 -0.943 -1.919 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -3.446 1.225 0.374 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.619 -1.265 -0.159 0.00 0.00 +0.180 C BRANCH 24 25 ATOM 25 C LIG 1 -3.704 -2.362 0.355 0.00 0.00 +0.146 A ATOM 26 N LIG 1 -3.662 -2.592 1.682 0.00 0.00 -0.239 NA ATOM 27 C LIG 1 -2.791 -3.530 2.099 0.00 0.00 +0.114 A ATOM 28 C LIG 1 -1.987 -4.253 1.251 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -2.126 -3.968 -0.086 0.00 0.00 +0.114 A ATOM 30 N LIG 1 -2.974 -3.036 -0.566 0.00 0.00 -0.239 NA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -0.849 3.898 -0.804 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -1.619 4.221 0.469 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 -2.057 5.605 0.486 0.00 0.00 -0.271 N ATOM 34 N LIG 1 -2.968 6.030 -0.412 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 -3.132 7.320 -0.105 0.00 0.00 +0.134 A ATOM 36 C LIG 1 -2.326 7.721 0.975 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -1.638 6.587 1.337 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8