REMARK Name = BDB013701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.127 -0.075 0.459 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -2.102 0.948 -0.005 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -3.337 0.509 -0.465 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.302 1.431 -0.894 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -4.019 2.797 -0.876 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.773 3.240 -0.438 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.618 -0.935 -0.523 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -4.726 -1.319 -0.890 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -2.574 -1.777 -0.163 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -2.764 -3.215 -0.192 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -1.813 2.321 -0.006 0.00 0.00 +0.012 A ATOM 12 N LIG 1 -1.381 -1.349 0.355 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.068 0.344 1.020 0.00 0.00 -0.326 N ATOM 14 H LIG 1 0.032 1.214 1.537 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 1.033 -0.605 1.582 0.00 0.00 +0.118 C BRANCH 15 16 ATOM 16 C LIG 1 1.887 -1.272 0.480 0.00 0.00 +0.100 C BRANCH 16 17 ATOM 17 N LIG 1 2.371 -0.346 -0.556 0.00 0.00 -0.312 NA ATOM 18 H LIG 1 1.660 0.383 -0.656 0.00 0.00 +0.122 HD BRANCH 17 20 ATOM 19 C LIG 1 3.848 1.060 0.915 0.00 0.00 +0.023 C ATOM 20 C LIG 1 3.694 0.248 -0.369 0.00 0.00 +0.048 C ATOM 21 C LIG 1 4.809 -0.792 -0.499 0.00 0.00 +0.023 C ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 5