REMARK Name = BDB024800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.550 1.699 -0.608 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.884 0.499 -0.303 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.551 -0.803 -0.550 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.711 -1.033 0.436 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.631 -2.032 -0.465 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.276 -1.730 -1.063 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.682 -0.599 -0.276 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.318 -0.578 0.081 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.339 -1.507 -0.172 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.768 -1.034 0.367 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.535 0.192 0.955 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.798 0.500 0.785 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.579 1.592 1.164 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.931 1.567 0.796 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.497 0.500 0.081 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.093 2.832 -0.499 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 7.516 2.671 -1.462 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.804 1.484 -1.110 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.502 1.044 1.628 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 -2.097 2.090 0.676 0.00 0.00 +0.102 C BRANCH 20 21 ATOM 21 N LIG 1 -3.093 2.956 1.326 0.00 0.00 -0.313 NA ATOM 22 H LIG 1 -3.185 3.810 0.773 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.411 2.302 1.402 0.00 0.00 +0.095 C BRANCH 23 24 ATOM 24 C LIG 1 -5.425 3.140 2.185 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 -5.162 3.106 3.629 0.00 0.00 +0.064 C ATOM 26 N LIG 1 -4.987 3.076 4.777 0.00 0.00 -0.197 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 27 ATOM 27 C LIG 1 -2.085 -1.736 0.316 0.00 0.00 +0.096 C BRANCH 27 28 ATOM 28 C LIG 1 -2.724 -1.595 -1.067 0.00 0.00 +0.132 C BRANCH 28 29 ATOM 29 N LIG 1 -4.034 -2.245 -1.133 0.00 0.00 -0.315 N ATOM 30 C LIG 1 -5.142 -1.561 -0.634 0.00 0.00 +0.251 A ATOM 31 O LIG 1 -5.103 -0.436 -0.141 0.00 0.00 -0.268 OA ATOM 32 C LIG 1 -6.443 -2.281 -0.713 0.00 0.00 +0.070 A ATOM 33 C LIG 1 -6.497 -3.522 -1.213 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -5.301 -4.175 -1.679 0.00 0.00 +0.018 A ATOM 35 C LIG 1 -4.126 -3.536 -1.628 0.00 0.00 +0.089 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 10