REMARK Name = BDB025808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.965 0.196 -0.120 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.392 -1.133 0.109 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.430 -2.115 0.352 0.00 0.00 +0.064 A ATOM 4 C LIG 1 0.923 -1.780 0.366 0.00 0.00 +0.133 A ATOM 5 F LIG 1 1.804 -2.768 0.589 0.00 0.00 -0.205 F ATOM 6 C LIG 1 1.374 -0.468 0.149 0.00 0.00 +0.022 A ATOM 7 C LIG 1 0.397 0.517 -0.091 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.786 -1.405 0.095 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.298 -1.676 1.465 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.773 -2.163 1.397 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.320 -2.346 2.814 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.938 -3.436 0.646 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.213 -3.460 -0.073 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.805 -3.683 -0.272 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.191 -2.420 -0.913 0.00 0.00 +0.120 C ENDBRANCH 2 8 BRANCH 6 16 ATOM 16 C LIG 1 2.806 -0.130 0.168 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.708 -0.650 1.074 0.00 0.00 +0.124 A ATOM 18 N LIG 1 5.027 -0.354 1.112 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.502 0.509 0.202 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.710 1.075 -0.723 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.398 0.747 -0.719 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.838 0.851 0.233 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.361 1.596 -0.914 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.862 1.859 -0.713 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.646 0.662 -0.583 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.911 -0.445 -0.038 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.782 -0.033 0.921 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 6 16 BRANCH 1 29 ATOM 28 C LIG 1 -1.910 2.461 -0.685 0.00 0.00 +0.267 C ATOM 29 N LIG 1 -2.000 1.119 -0.370 0.00 0.00 -0.279 N ATOM 30 H LIG 1 -2.907 0.664 -0.366 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 -0.851 3.067 -0.824 0.00 0.00 -0.268 OA BRANCH 28 36 ATOM 32 C LIG 1 -4.901 6.182 -2.042 0.00 0.00 +0.073 C ATOM 33 C LIG 1 -4.504 4.856 -1.496 0.00 0.00 +0.076 A ATOM 34 S LIG 1 -5.694 3.773 -0.906 0.00 0.00 -0.080 S ATOM 35 C LIG 1 -4.460 2.647 -0.519 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -3.212 3.141 -0.868 0.00 0.00 +0.133 A ATOM 37 N LIG 1 -3.266 4.422 -1.427 0.00 0.00 -0.240 NA ENDBRANCH 28 36 ENDBRANCH 1 29 TORSDOF 5