REMARK Name = BDB029667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.823 -1.262 0.375 0.00 0.00 -0.326 N ATOM 2 C LIG 1 1.349 -2.568 -0.117 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.004 -2.960 0.540 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -1.095 -1.980 0.397 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.564 -0.603 0.250 0.00 0.00 +0.103 C ATOM 6 C LIG 1 0.800 -0.365 0.939 0.00 0.00 +0.120 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.910 -0.423 0.481 0.00 0.00 +0.125 A ATOM 8 N LIG 1 5.470 -1.396 -0.346 0.00 0.00 -0.249 NA ATOM 9 C LIG 1 4.134 -1.633 -0.346 0.00 0.00 +0.134 A ATOM 10 C LIG 1 3.174 -0.967 0.428 0.00 0.00 +0.048 A ATOM 11 C LIG 1 3.694 0.031 1.262 0.00 0.00 +0.027 A ATOM 12 C LIG 1 5.064 0.311 1.298 0.00 0.00 +0.035 A BRANCH 7 14 ATOM 13 O LIG 1 8.201 -1.077 0.383 0.00 0.00 -0.269 OA ATOM 14 C LIG 1 7.386 -0.165 0.477 0.00 0.00 +0.263 C ATOM 15 N LIG 1 7.769 1.167 0.564 0.00 0.00 -0.303 N ATOM 16 H LIG 1 7.059 1.867 0.381 0.00 0.00 +0.150 HD BRANCH 15 17 ATOM 17 C LIG 1 9.201 1.548 0.436 0.00 0.00 +0.124 C ATOM 18 C LIG 1 9.683 1.724 -1.012 0.00 0.00 +0.184 C ATOM 19 O LIG 1 9.577 3.170 -0.903 0.00 0.00 -0.376 OA ATOM 20 C LIG 1 9.473 3.055 0.539 0.00 0.00 +0.184 C ENDBRANCH 15 17 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 21 ATOM 21 C LIG 1 -1.994 -2.333 -0.713 0.00 0.00 +0.121 C BRANCH 21 22 ATOM 22 C LIG 1 -3.254 -1.504 -0.743 0.00 0.00 -0.013 A ATOM 23 C LIG 1 -4.109 -1.437 0.364 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -5.261 -0.667 0.281 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -5.534 0.007 -0.903 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.744 0.815 -0.990 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -7.619 0.943 0.032 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -7.288 0.193 1.316 0.00 0.00 +0.253 A ATOM 29 O LIG 1 -8.024 0.252 2.299 0.00 0.00 -0.268 OA ATOM 30 N LIG 1 -4.739 -0.040 -1.993 0.00 0.00 -0.253 NA ATOM 31 N LIG 1 -6.143 -0.557 1.357 0.00 0.00 -0.321 N ATOM 32 H LIG 1 -5.959 -1.039 2.226 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -3.620 -0.795 -1.887 0.00 0.00 +0.116 A BRANCH 27 34 ATOM 34 C LIG 1 -8.864 1.756 -0.013 0.00 0.00 +0.024 C ATOM 35 C LIG 1 -9.678 1.858 -1.278 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -8.916 3.054 -0.777 0.00 0.00 +0.009 C ENDBRANCH 27 34 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 6