REMARK Name = BDB029564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.545 -0.727 -2.159 0.00 0.00 +0.046 A ATOM 2 C LIG 1 2.495 -0.214 -1.398 0.00 0.00 +0.039 A ATOM 3 C LIG 1 1.167 -0.475 -1.754 0.00 0.00 +0.060 A ATOM 4 C LIG 1 0.049 0.049 -0.933 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -1.210 -0.488 -1.175 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -1.401 -1.591 -2.111 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -0.509 -1.453 -3.334 0.00 0.00 +0.075 C ATOM 8 O LIG 1 0.263 0.917 -0.092 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.907 -1.223 -2.897 0.00 0.00 +0.055 A ATOM 10 N LIG 1 1.892 -1.711 -3.687 0.00 0.00 -0.257 NA ATOM 11 C LIG 1 3.167 -1.440 -3.304 0.00 0.00 +0.134 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 4.893 -0.467 -1.917 0.00 0.00 -0.340 N ATOM 13 H LIG 1 5.509 -1.173 -2.316 0.00 0.00 +0.146 HD BRANCH 12 19 ATOM 14 C LIG 1 9.505 0.504 2.513 0.00 0.00 +0.109 C ATOM 15 C LIG 1 8.607 -0.651 2.143 0.00 0.00 +0.212 C ATOM 16 N LIG 1 7.651 -0.416 1.163 0.00 0.00 -0.302 N ATOM 17 C LIG 1 7.537 0.839 0.421 0.00 0.00 +0.109 C ATOM 18 C LIG 1 6.789 0.658 -0.891 0.00 0.00 +0.041 C ATOM 19 C LIG 1 5.378 0.098 -0.652 0.00 0.00 +0.073 C ATOM 20 C LIG 1 5.340 -0.945 0.477 0.00 0.00 +0.041 C ATOM 21 C LIG 1 6.722 -1.489 0.816 0.00 0.00 +0.109 C ATOM 22 O LIG 1 8.741 -1.742 2.695 0.00 0.00 -0.276 OA ENDBRANCH 12 19 ENDBRANCH 1 12 BRANCH 5 23 ATOM 23 C LIG 1 -2.357 -0.017 -0.394 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.034 1.198 -1.060 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -3.714 0.800 -2.259 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -4.321 0.088 -1.996 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.000 1.916 -0.091 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.093 1.063 0.421 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.479 1.472 1.782 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.627 0.644 2.307 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.732 0.455 1.461 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.849 -0.251 1.911 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.857 -0.784 3.200 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.758 -0.603 4.042 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.662 1.088 0.100 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -6.646 0.116 3.600 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.246 0.981 -0.506 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 7