REMARK Name = BDB016683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.599 -1.928 1.688 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.526 -2.322 0.339 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.381 -1.995 -0.397 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.289 -1.332 0.147 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.644 -1.202 -0.931 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.138 -1.716 -2.066 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.345 -0.960 1.503 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.056 -2.205 -1.707 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.617 -2.665 -2.414 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.493 -1.269 2.250 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.271 1.026 -0.662 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.728 0.348 0.436 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.459 -0.676 1.025 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.184 -1.609 2.172 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.837 -2.223 2.506 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.437 -2.448 2.272 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.291 -2.024 1.270 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.204 -2.426 1.125 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.633 -3.330 3.091 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.446 -1.160 3.400 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.734 -0.982 0.525 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.309 -0.321 -0.538 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.557 0.694 -1.133 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.283 2.268 -1.058 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.655 2.031 -1.357 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.974 -0.592 -0.914 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.849 -0.786 0.155 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.118 -0.187 0.157 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -4.565 0.622 -0.899 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -3.674 0.789 -1.971 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -2.404 0.193 -1.986 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -5.818 1.212 -0.896 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -6.884 0.775 0.020 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -8.275 1.136 -0.551 0.00 0.00 +0.100 C ATOM 35 N LIG 1 -8.495 2.568 -0.831 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 -9.086 2.641 -1.659 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -7.221 3.266 -1.075 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -6.098 2.410 -1.705 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4