REMARK Name = BDB024802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.252 -3.374 0.516 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.916 -2.010 0.581 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.995 -1.022 0.790 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.619 -0.600 -0.546 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.529 0.164 1.629 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.365 0.862 0.965 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.300 -0.118 0.564 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.986 0.355 0.339 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.499 1.637 0.444 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.218 1.574 0.147 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.140 0.279 -0.163 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.978 -0.515 -0.045 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.203 -1.875 -0.231 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.511 -2.338 -0.017 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.572 -1.502 0.378 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.477 -4.321 0.433 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 7.008 -4.947 0.509 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.606 -3.577 0.567 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.460 -0.188 -0.552 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 -2.281 -0.645 0.662 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 -3.681 -0.983 0.321 0.00 0.00 -0.301 NA ATOM 22 C LIG 1 -3.768 -2.242 -0.436 0.00 0.00 +0.085 C ATOM 23 C LIG 1 -5.214 -2.547 -0.825 0.00 0.00 +0.033 C ATOM 24 C LIG 1 -6.118 -2.596 0.407 0.00 0.00 +0.094 C ATOM 25 C LIG 1 -5.957 -1.319 1.230 0.00 0.00 +0.033 C ATOM 26 C LIG 1 -4.488 -1.058 1.552 0.00 0.00 +0.085 C BRANCH 24 27 ATOM 27 C LIG 1 -7.523 -2.785 0.011 0.00 0.00 +0.066 C ATOM 28 N LIG 1 -8.630 -2.939 -0.300 0.00 0.00 -0.196 NA ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 -0.717 2.740 0.144 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C LIG 1 -0.662 3.487 -1.191 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 N LIG 1 -1.756 4.452 -1.323 0.00 0.00 -0.315 N ATOM 32 C LIG 1 -1.617 5.701 -0.715 0.00 0.00 +0.251 A ATOM 33 O LIG 1 -0.635 6.064 -0.074 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -2.769 6.632 -0.870 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -3.865 6.246 -1.536 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -3.942 4.929 -2.113 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -2.910 4.085 -1.995 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 8