REMARK Name = BDB015234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.177 0.272 -3.000 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.103 -0.369 -2.173 0.00 0.00 +0.054 A ATOM 3 C LIG 1 2.486 -0.186 -2.357 0.00 0.00 -0.014 A ATOM 4 C LIG 1 2.914 0.644 -3.406 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.992 1.265 -4.250 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.627 1.072 -4.050 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.460 -0.854 -1.475 0.00 0.00 -0.016 A ATOM 8 C LIG 1 4.428 -0.096 -0.785 0.00 0.00 +0.036 A ATOM 9 C LIG 1 5.328 -0.774 0.051 0.00 0.00 +0.070 A ATOM 10 C LIG 1 5.312 -2.159 0.204 0.00 0.00 +0.089 A ATOM 11 N LIG 1 6.316 -2.578 1.044 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 6.948 -1.481 1.398 0.00 0.00 +0.200 A ATOM 13 C LIG 1 4.350 -2.914 -0.478 0.00 0.00 +0.030 A ATOM 14 N LIG 1 6.357 -0.372 0.866 0.00 0.00 -0.323 N ATOM 15 C LIG 1 3.434 -2.250 -1.308 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 6.831 1.009 1.011 0.00 0.00 +0.140 C ATOM 17 C LIG 1 5.760 1.974 1.537 0.00 0.00 +0.187 C ATOM 18 O LIG 1 6.686 2.496 2.526 0.00 0.00 -0.376 OA ATOM 19 C LIG 1 7.533 1.333 2.336 0.00 0.00 +0.187 C ENDBRANCH 14 16 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 O LIG 1 -1.179 0.123 -2.915 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.738 0.014 -1.594 0.00 0.00 +0.261 C BRANCH 21 22 ATOM 22 C LIG 1 -2.481 -1.324 -1.484 0.00 0.00 +0.166 C BRANCH 22 23 ATOM 23 O LIG 1 -1.567 -2.407 -1.730 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 -1.168 -2.219 -2.601 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -3.108 -1.530 -0.091 0.00 0.00 +0.119 C BRANCH 25 26 ATOM 26 N LIG 1 -4.052 -0.478 0.328 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -4.337 -0.615 1.772 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -5.410 0.328 2.275 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -6.336 0.906 1.390 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -7.339 1.750 1.883 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -7.440 1.999 3.252 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.537 1.412 4.135 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.205 0.668 -0.092 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -5.528 0.579 3.651 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.318 -0.541 -0.422 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8