REMARK Name = BDB008263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.330 0.603 -0.040 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.145 0.992 -0.540 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.864 0.106 -0.594 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.726 -1.197 -0.136 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.504 -1.616 0.373 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.551 -0.692 0.410 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.694 -2.994 0.861 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -0.458 -3.318 2.237 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -0.645 -4.643 2.691 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -0.444 -5.022 3.965 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -0.043 -4.091 4.855 0.00 0.00 +0.111 A ATOM 12 C LIG 1 0.174 -2.770 4.529 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -1.056 -5.607 1.788 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.291 -5.309 0.446 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -0.036 -2.384 3.210 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.115 -4.008 -0.032 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -1.381 -3.727 -1.489 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.391 2.848 -0.172 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.412 1.480 0.031 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.303 1.138 0.374 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.415 3.555 -0.387 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.833 3.424 -0.128 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.803 4.928 0.139 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.050 2.855 0.731 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.613 2.674 0.899 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.341 3.026 1.820 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.113 0.459 -1.111 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.862 -0.224 -1.072 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.454 1.659 -1.696 0.00 0.00 +0.269 C ATOM 30 O LIG 1 1.740 2.623 -1.931 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.891 1.713 -2.088 0.00 0.00 +0.144 A ATOM 32 N LIG 1 4.639 0.591 -1.860 0.00 0.00 -0.247 NA ATOM 33 C LIG 1 5.938 0.695 -2.234 0.00 0.00 +0.134 A ATOM 34 C LIG 1 6.481 1.845 -2.803 0.00 0.00 +0.056 A ATOM 35 C LIG 1 7.923 1.893 -3.198 0.00 0.00 +0.067 C ATOM 36 N LIG 1 5.725 2.949 -3.025 0.00 0.00 -0.256 NA ATOM 37 C LIG 1 4.420 2.861 -2.656 0.00 0.00 +0.144 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6