REMARK Name = BDB029570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.581 -0.877 -1.031 0.00 0.00 +0.028 A ATOM 2 C LIG 1 2.264 -0.988 -0.576 0.00 0.00 +0.036 A ATOM 3 C LIG 1 1.237 -0.262 -1.195 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -0.155 -0.378 -0.667 0.00 0.00 +0.247 C ATOM 5 N LIG 1 -1.168 0.205 -1.429 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -0.901 0.632 -2.797 0.00 0.00 +0.113 C ATOM 7 C LIG 1 0.419 1.385 -2.907 0.00 0.00 +0.055 C ATOM 8 O LIG 1 -0.350 -0.971 0.390 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.522 0.577 -2.284 0.00 0.00 -0.034 A ATOM 10 C LIG 1 2.840 0.688 -2.737 0.00 0.00 +0.006 A ATOM 11 C LIG 1 3.856 -0.043 -2.119 0.00 0.00 +0.023 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 4.645 -1.593 -0.441 0.00 0.00 -0.341 N ATOM 13 H LIG 1 4.390 -2.583 -0.498 0.00 0.00 +0.146 HD BRANCH 12 19 ATOM 14 C LIG 1 9.616 0.998 1.083 0.00 0.00 +0.109 C ATOM 15 C LIG 1 9.142 -0.433 1.148 0.00 0.00 +0.212 C ATOM 16 N LIG 1 7.768 -0.653 1.078 0.00 0.00 -0.302 N ATOM 17 C LIG 1 7.322 -2.041 0.974 0.00 0.00 +0.109 C ATOM 18 C LIG 1 5.926 -2.248 1.552 0.00 0.00 +0.041 C ATOM 19 C LIG 1 4.905 -1.257 0.979 0.00 0.00 +0.073 C ATOM 20 C LIG 1 5.432 0.173 1.149 0.00 0.00 +0.041 C ATOM 21 C LIG 1 6.830 0.347 0.565 0.00 0.00 +0.109 C ATOM 22 O LIG 1 9.960 -1.346 1.277 0.00 0.00 -0.276 OA ENDBRANCH 12 19 ENDBRANCH 1 12 BRANCH 5 23 ATOM 23 C LIG 1 -2.562 0.103 -0.979 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -3.220 1.472 -0.731 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -2.552 2.168 0.332 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -2.907 1.769 1.153 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -4.730 1.395 -0.393 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -5.010 0.941 0.992 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -6.267 1.532 1.497 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -7.499 0.774 1.067 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.480 -0.621 1.235 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -8.607 -1.383 0.922 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.746 -0.752 0.423 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.765 0.634 0.246 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.211 -1.211 1.786 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -8.645 1.400 0.574 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.993 -0.541 1.115 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 7