REMARK Name = BDB024869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.924 -0.666 -0.044 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.958 0.355 -0.079 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.462 1.742 0.021 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.185 2.170 -1.267 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.393 2.800 0.337 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.371 2.255 1.311 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.729 1.063 0.662 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.341 0.827 0.737 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.367 1.577 1.348 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.768 0.939 1.145 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.559 -0.196 0.388 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.789 -0.292 0.124 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.564 -1.217 -0.577 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.944 -0.980 -0.637 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.542 0.128 -0.018 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.134 -0.457 -0.101 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.399 -2.951 0.237 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.417 -1.920 0.130 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.592 -1.081 -0.129 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.164 -2.005 0.931 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.436 -2.496 0.712 0.00 0.00 -0.297 N ATOM 22 C LIG 1 -4.043 -3.436 1.642 0.00 0.00 +0.139 C ATOM 23 C LIG 1 -5.301 -3.940 0.931 0.00 0.00 +0.133 C ATOM 24 C LIG 1 -5.665 -2.778 0.012 0.00 0.00 +0.052 C ATOM 25 C LIG 1 -4.311 -2.243 -0.424 0.00 0.00 +0.110 C ATOM 26 O LIG 1 -1.525 -2.330 1.932 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 O LIG 1 -6.364 -4.245 1.816 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -6.553 -3.457 2.354 0.00 0.00 +0.210 HD ENDBRANCH 23 27 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 29 ATOM 29 C LIG 1 -2.102 1.398 1.642 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C LIG 1 -2.545 2.698 0.964 0.00 0.00 +0.132 C BRANCH 30 31 ATOM 31 N LIG 1 -2.798 2.554 -0.475 0.00 0.00 -0.315 N ATOM 32 C LIG 1 -3.993 1.973 -0.894 0.00 0.00 +0.251 A ATOM 33 O LIG 1 -4.848 1.511 -0.144 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -4.195 1.887 -2.367 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -3.235 2.300 -3.204 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -2.002 2.839 -2.692 0.00 0.00 +0.018 A ATOM 37 C LIG 1 -1.821 2.957 -1.372 0.00 0.00 +0.089 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7