REMARK Name = BDB024838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.800 -3.309 -1.283 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.317 -2.286 -0.446 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.859 -2.176 0.924 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.086 -3.077 1.895 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.937 -0.727 1.394 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.568 -0.085 1.368 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.887 -0.311 0.048 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.828 0.548 -0.330 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.299 1.617 0.354 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.337 2.104 -0.403 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.210 1.358 -1.556 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -1.164 0.365 -1.533 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.500 -0.658 -2.414 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.543 -1.514 -2.029 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.252 -1.375 -0.822 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.515 -3.494 -2.460 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -6.209 -5.192 -1.438 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -5.683 -4.133 -0.636 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 0.783 1.549 -2.596 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.147 1.069 -2.151 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.273 -0.299 -2.018 0.00 0.00 -0.312 N ATOM 22 H LIG 1 1.438 -0.875 -1.993 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 3.074 1.847 -1.937 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 3.500 -0.892 -1.516 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 C LIG 1 3.647 -0.746 0.004 0.00 0.00 +0.128 C BRANCH 25 26 ATOM 26 N LIG 1 4.881 -1.315 0.508 0.00 0.00 -0.283 N ATOM 27 C LIG 1 5.102 -2.688 0.587 0.00 0.00 +0.302 C ATOM 28 O LIG 1 4.276 -3.574 0.467 0.00 0.00 -0.253 OA ATOM 29 N LIG 1 6.456 -2.881 0.808 0.00 0.00 -0.298 N ATOM 30 H LIG 1 6.795 -3.797 1.068 0.00 0.00 +0.150 HD ATOM 31 C LIG 1 7.121 -1.627 1.039 0.00 0.00 +0.124 C ATOM 32 C LIG 1 6.141 -0.604 0.477 0.00 0.00 +0.128 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 33 ATOM 33 C LIG 1 0.527 3.278 -0.063 0.00 0.00 +0.097 C BRANCH 33 34 ATOM 34 C LIG 1 -0.073 4.109 1.066 0.00 0.00 +0.151 C BRANCH 34 35 ATOM 35 N LIG 1 0.783 5.227 1.416 0.00 0.00 -0.271 N ATOM 36 N LIG 1 0.887 6.279 0.580 0.00 0.00 -0.180 NA ATOM 37 C LIG 1 1.743 7.093 1.202 0.00 0.00 +0.134 A ATOM 38 C LIG 1 2.186 6.567 2.430 0.00 0.00 +0.041 A ATOM 39 C LIG 1 1.547 5.355 2.541 0.00 0.00 +0.108 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 9