REMARK Name = BDB016702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.917 -2.385 -0.843 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.602 -2.114 -2.188 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.326 -1.627 -2.495 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.344 -1.408 -1.538 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.219 -0.915 -2.268 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.486 -0.839 -3.580 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.645 -1.694 -0.194 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.751 -1.272 -3.683 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.173 -1.302 -4.604 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.921 -2.183 0.128 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.279 1.508 1.361 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -6.350 0.369 0.545 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.969 -0.777 1.023 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -7.225 -2.136 0.437 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -6.276 -2.918 -0.449 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -8.002 -2.859 1.513 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -8.124 -1.987 2.581 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.611 -2.231 3.429 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -8.429 -3.998 1.432 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -7.546 -2.318 -1.019 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.527 -0.755 2.309 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.479 0.345 3.139 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.842 1.491 2.651 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -5.501 3.749 1.571 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.641 2.573 0.784 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.040 -0.551 -1.681 0.00 0.00 +0.031 C ATOM 27 C LIG 1 1.091 -0.067 -2.365 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 2.369 0.311 -1.749 0.00 0.00 -0.025 A ATOM 29 C LIG 1 2.983 -0.471 -0.764 0.00 0.00 +0.011 A ATOM 30 C LIG 1 4.218 -0.097 -0.216 0.00 0.00 +0.046 A ATOM 31 C LIG 1 4.857 1.062 -0.652 0.00 0.00 +0.121 A ATOM 32 C LIG 1 4.255 1.833 -1.649 0.00 0.00 +0.046 A ATOM 33 C LIG 1 3.025 1.460 -2.198 0.00 0.00 +0.011 A BRANCH 31 34 ATOM 34 O LIG 1 6.056 1.545 -0.213 0.00 0.00 -0.489 OA BRANCH 34 35 ATOM 35 C LIG 1 6.730 0.887 0.868 0.00 0.00 +0.176 C ATOM 36 C LIG 1 7.602 -0.258 0.344 0.00 0.00 +0.060 C ATOM 37 C LIG 1 8.774 0.261 -0.492 0.00 0.00 +0.087 C ATOM 38 N LIG 1 9.601 1.261 0.195 0.00 0.00 -0.305 NA ATOM 39 C LIG 1 10.441 0.678 1.236 0.00 0.00 +0.104 C ATOM 40 C LIG 1 8.779 2.373 0.688 0.00 0.00 +0.087 C ATOM 41 C LIG 1 7.604 1.935 1.566 0.00 0.00 +0.060 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6