REMARK Name = BDB032371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.374 -0.355 0.397 0.00 0.00 +0.136 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.717 1.009 0.803 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.846 1.042 1.900 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.475 0.602 1.772 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.946 0.111 0.547 0.00 0.00 -0.030 A ATOM 6 C LIG 1 -0.075 0.084 -0.550 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.244 0.525 -0.422 0.00 0.00 +0.004 A BRANCH 2 8 ATOM 8 C LIG 1 3.146 1.482 0.942 0.00 0.00 +0.050 C BRANCH 8 9 ATOM 9 C LIG 1 4.163 0.344 1.157 0.00 0.00 +0.089 C BRANCH 9 14 ATOM 10 C LIG 1 8.744 -0.724 0.026 0.00 0.00 +0.105 C ATOM 11 N LIG 1 7.354 -0.927 -0.371 0.00 0.00 -0.303 NA ATOM 12 C LIG 1 6.589 -1.596 0.696 0.00 0.00 +0.099 C ATOM 13 C LIG 1 5.094 -1.755 0.331 0.00 0.00 +0.100 C ATOM 14 N LIG 1 4.408 -0.495 -0.031 0.00 0.00 -0.300 NA ATOM 15 C LIG 1 5.211 0.185 -1.071 0.00 0.00 +0.100 C ATOM 16 C LIG 1 6.715 0.349 -0.736 0.00 0.00 +0.099 C ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 17 ATOM 17 N LIG 1 -3.136 0.653 -0.327 0.00 0.00 -0.340 N ATOM 18 H LIG 1 -2.834 1.598 -0.101 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 -4.524 0.543 -0.426 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.216 -0.670 -0.316 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -6.614 -0.751 -0.490 0.00 0.00 -0.011 A ATOM 22 C LIG 1 -7.349 0.408 -0.807 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -8.746 0.272 -0.958 0.00 0.00 +0.124 A ATOM 24 N LIG 1 -9.400 -0.899 -0.838 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 -8.662 -1.989 -0.549 0.00 0.00 +0.113 A ATOM 26 C LIG 1 -6.645 1.618 -0.970 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -7.291 -1.968 -0.363 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.258 1.675 -0.794 0.00 0.00 +0.023 A BRANCH 23 29 ATOM 29 N LIG 1 -9.566 1.366 -1.256 0.00 0.00 -0.343 N ATOM 30 H LIG 1 -10.517 1.007 -1.272 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 -9.454 2.092 -0.559 0.00 0.00 +0.144 HD ENDBRANCH 23 29 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7