REMARK Name = BDB018221 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.805 -1.403 0.693 0.00 0.00 -0.264 N ATOM 2 N LIG 1 -0.666 -1.684 2.008 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 0.526 -1.168 2.318 0.00 0.00 +0.143 A ATOM 4 C LIG 1 1.169 -0.573 1.211 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.283 -0.754 0.170 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 2.447 0.074 1.149 0.00 0.00 +0.001 A ATOM 7 C LIG 1 2.713 1.069 0.279 0.00 0.00 +0.097 A ATOM 8 N LIG 1 3.945 1.705 0.218 0.00 0.00 -0.318 N ATOM 9 C LIG 1 4.124 2.776 -0.749 0.00 0.00 +0.152 C ATOM 10 C LIG 1 5.000 1.364 1.057 0.00 0.00 +0.251 A ATOM 11 O LIG 1 6.108 1.893 1.056 0.00 0.00 -0.268 OA ATOM 12 C LIG 1 4.725 0.263 2.015 0.00 0.00 +0.071 A ATOM 13 C LIG 1 3.524 -0.329 2.044 0.00 0.00 +0.015 A ENDBRANCH 4 6 BRANCH 1 14 ATOM 14 C LIG 1 -2.013 -1.850 -0.017 0.00 0.00 +0.134 C ATOM 15 C LIG 1 -1.733 -3.180 -0.728 0.00 0.00 +0.038 C BRANCH 14 18 ATOM 16 C LIG 1 -3.583 0.435 1.166 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -3.325 0.337 -0.316 0.00 0.00 -0.045 A ATOM 18 C LIG 1 -2.592 -0.732 -0.889 0.00 0.00 -0.020 A ATOM 19 C LIG 1 -2.388 -0.727 -2.284 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -2.897 0.293 -3.090 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.616 1.335 -2.520 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.827 1.358 -1.144 0.00 0.00 +0.004 A ENDBRANCH 14 18 ENDBRANCH 1 14 TORSDOF 3