REMARK Name = BDB002401 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.656 -0.083 -0.058 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.705 0.520 0.429 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.481 0.058 0.844 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.314 -0.160 1.823 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.914 0.916 -0.718 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.803 0.516 1.514 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 4.572 -0.765 0.398 0.00 0.00 +0.230 C ATOM 8 N LIG 1 4.091 0.460 0.824 0.00 0.00 -0.302 N ATOM 9 H LIG 1 4.258 1.236 0.195 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 4.098 -1.832 0.794 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 5.805 -0.710 -0.546 0.00 0.00 +0.137 C ATOM 12 C LIG 1 5.550 0.157 -1.776 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 7.542 -2.311 -1.139 0.00 0.00 +0.101 C ATOM 14 N LIG 1 6.109 -2.090 -0.997 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 5.742 -2.731 -0.284 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 2.666 1.731 2.456 0.00 0.00 +0.012 C ATOM 17 C LIG 1 3.631 1.610 3.640 0.00 0.00 +0.009 C ATOM 18 C LIG 1 2.872 3.077 1.755 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.928 0.233 0.756 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -3.079 0.325 0.007 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -3.004 0.397 -1.000 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.904 0.374 1.978 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.354 0.705 0.600 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -5.537 0.148 -0.174 0.00 0.00 -0.024 A ATOM 25 C LIG 1 -6.803 0.735 0.024 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -7.933 0.211 -0.615 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -7.813 -0.897 -1.452 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.572 -1.500 -1.635 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.922 1.897 0.974 0.00 0.00 +0.035 C ATOM 30 C LIG 1 -5.790 2.882 0.719 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -5.442 -0.990 -0.991 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -4.399 2.243 0.754 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 -0.738 -1.495 -0.652 0.00 0.00 +0.041 C BRANCH 33 34 ATOM 34 C LIG 1 0.501 -1.885 -1.460 0.00 0.00 +0.098 C BRANCH 34 35 ATOM 35 C LIG 1 0.330 -3.219 -2.151 0.00 0.00 +0.211 C ATOM 36 O LIG 1 -0.734 -3.816 -2.257 0.00 0.00 -0.276 OA ATOM 37 N LIG 1 1.478 -3.712 -2.702 0.00 0.00 -0.329 N ATOM 38 H LIG 1 2.386 -3.368 -2.414 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 1.433 -4.643 -3.093 0.00 0.00 +0.145 HD ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 11