REMARK Name = BDB063451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.753 0.367 0.317 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -0.624 0.388 -0.432 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 0.574 0.287 0.169 0.00 0.00 +0.221 A ATOM 4 N LIG 1 0.726 0.182 1.493 0.00 0.00 -0.223 NA ATOM 5 C LIG 1 -0.395 0.180 2.228 0.00 0.00 +0.118 A ATOM 6 C LIG 1 -1.654 0.276 1.693 0.00 0.00 +0.064 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.882 0.712 -1.762 0.00 0.00 +0.138 C ATOM 8 N LIG 1 -3.024 0.491 -0.321 0.00 0.00 -0.272 N BRANCH 8 9 ATOM 9 C LIG 1 -4.237 0.101 0.181 0.00 0.00 +0.148 A ATOM 10 N LIG 1 -4.439 -0.729 1.207 0.00 0.00 -0.156 NA ATOM 11 N LIG 1 -5.772 -0.852 1.325 0.00 0.00 -0.269 N ATOM 12 C LIG 1 -6.253 -1.745 2.354 0.00 0.00 +0.172 C ATOM 13 C LIG 1 -6.479 -0.066 0.444 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -5.489 0.546 -0.312 0.00 0.00 +0.069 A BRANCH 13 15 ATOM 15 C LIG 1 -7.996 0.058 0.339 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -8.374 1.272 -0.546 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -8.586 -1.197 -0.328 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -8.655 0.291 1.710 0.00 0.00 +0.017 C ENDBRANCH 13 15 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 N LIG 1 1.662 0.306 -0.700 0.00 0.00 -0.284 N ATOM 20 H LIG 1 1.319 0.380 -1.645 0.00 0.00 +0.155 HD BRANCH 19 21 ATOM 21 C LIG 1 3.047 0.225 -0.532 0.00 0.00 +0.034 A ATOM 22 C LIG 1 3.866 0.276 -1.668 0.00 0.00 +0.024 A ATOM 23 C LIG 1 5.261 0.204 -1.567 0.00 0.00 +0.013 A ATOM 24 C LIG 1 5.889 0.079 -0.323 0.00 0.00 +0.017 A ATOM 25 C LIG 1 5.077 0.029 0.816 0.00 0.00 +0.013 A ATOM 26 C LIG 1 3.679 0.102 0.708 0.00 0.00 +0.024 A BRANCH 24 27 ATOM 27 C LIG 1 7.354 0.008 -0.263 0.00 0.00 +0.139 A ATOM 28 N LIG 1 8.083 -0.152 0.896 0.00 0.00 -0.338 N ATOM 29 H LIG 1 7.700 -0.239 1.823 0.00 0.00 +0.167 HD ATOM 30 C LIG 1 9.418 -0.175 0.585 0.00 0.00 +0.066 A ATOM 31 C LIG 1 9.446 -0.026 -0.794 0.00 0.00 +0.089 A ATOM 32 C LIG 1 10.681 -0.008 -1.457 0.00 0.00 +0.030 A ATOM 33 C LIG 1 11.851 -0.141 -0.699 0.00 0.00 +0.002 A ATOM 34 C LIG 1 11.791 -0.290 0.690 0.00 0.00 +0.002 A ATOM 35 C LIG 1 10.567 -0.311 1.367 0.00 0.00 +0.028 A ATOM 36 N LIG 1 8.175 0.084 -1.298 0.00 0.00 -0.228 NA ENDBRANCH 24 27 ENDBRANCH 19 21 ENDBRANCH 3 19 TORSDOF 6