REMARK Name = BDB025150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.220 -1.323 1.804 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.668 -0.541 0.775 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.595 0.373 0.073 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.573 -0.401 -0.826 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.917 1.452 -0.786 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.662 1.962 -0.112 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.737 0.791 0.056 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.351 0.891 -0.188 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.630 1.975 -0.617 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -0.616 1.566 -0.699 0.00 0.00 +0.119 A ATOM 11 N LIG 1 -0.742 0.247 -0.323 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.525 -0.213 -0.011 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.028 -1.452 0.396 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.404 -1.541 0.643 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.262 -0.442 0.504 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.426 -1.399 2.027 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.980 -0.533 -0.316 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.994 -1.567 -1.458 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.278 -2.413 -1.489 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.776 -2.823 -0.097 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.727 -2.616 0.989 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.297 -1.152 1.062 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.391 -1.697 -2.238 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.462 -0.488 -2.395 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.339 -2.539 -2.707 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.184 -3.480 -2.501 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -1.742 2.550 -1.206 0.00 0.00 +0.048 C ATOM 28 C LIG 1 -1.433 3.205 -2.551 0.00 0.00 +0.017 C ATOM 29 C LIG 1 -2.523 2.187 -2.457 0.00 0.00 +0.017 C BRANCH 27 30 ATOM 30 C LIG 1 -2.352 3.449 -0.153 0.00 0.00 +0.158 C BRANCH 30 31 ATOM 31 N LIG 1 -3.325 2.771 0.693 0.00 0.00 -0.270 N ATOM 32 N LIG 1 -2.974 2.333 1.920 0.00 0.00 -0.180 NA ATOM 33 C LIG 1 -4.124 1.912 2.450 0.00 0.00 +0.134 A ATOM 34 C LIG 1 -5.204 2.044 1.560 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -4.658 2.604 0.430 0.00 0.00 +0.108 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 37 ATOM 36 C LIG 1 4.857 -2.686 3.685 0.00 0.00 +0.282 C ATOM 37 O LIG 1 4.301 -1.949 2.596 0.00 0.00 -0.453 OA ENDBRANCH 1 37 TORSDOF 7