REMARK Name = BDB010265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.254 2.701 0.464 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.986 1.770 -0.465 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -2.002 0.693 -0.640 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -1.996 0.084 -1.711 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -2.910 0.533 0.395 0.00 0.00 -0.233 N ATOM 6 C LIG 1 -3.112 1.592 1.250 0.00 0.00 +0.117 A ATOM 7 C LIG 1 -4.244 1.619 2.256 0.00 0.00 +0.087 C ATOM 8 N LIG 1 -2.354 2.646 1.274 0.00 0.00 -0.238 NA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -3.658 -0.684 0.436 0.00 0.00 +0.239 A ATOM 10 N LIG 1 -3.233 -1.735 -0.289 0.00 0.00 -0.216 NA ATOM 11 C LIG 1 -3.922 -2.898 -0.235 0.00 0.00 +0.161 A ATOM 12 C LIG 1 -5.033 -3.090 0.543 0.00 0.00 +0.157 A ATOM 13 C LIG 1 -5.389 -1.979 1.268 0.00 0.00 +0.161 A ATOM 14 N LIG 1 -4.729 -0.796 1.239 0.00 0.00 -0.216 NA BRANCH 12 15 ATOM 15 O LIG 1 -5.799 -4.200 0.679 0.00 0.00 -0.489 OA BRANCH 15 16 ATOM 16 C LIG 1 -5.406 -5.384 -0.017 0.00 0.00 +0.226 C ATOM 17 C LIG 1 -5.992 -5.406 -1.418 0.00 0.00 +0.048 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.359 3.893 0.746 0.00 0.00 +0.056 C BRANCH 18 19 ATOM 19 C LIG 1 -0.847 5.150 0.021 0.00 0.00 +0.006 C BRANCH 19 21 ATOM 20 C LIG 1 -0.418 7.597 -0.402 0.00 0.00 +0.004 C ATOM 21 C LIG 1 0.059 6.345 0.316 0.00 0.00 -0.003 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 2 22 ATOM 22 C LIG 1 0.187 1.739 -1.411 0.00 0.00 +0.079 C BRANCH 22 23 ATOM 23 C LIG 1 1.216 0.700 -1.043 0.00 0.00 -0.025 A ATOM 24 C LIG 1 1.200 -0.565 -1.620 0.00 0.00 +0.115 A ATOM 25 N LIG 1 2.091 -1.544 -1.335 0.00 0.00 -0.255 NA ATOM 26 C LIG 1 3.070 -1.268 -0.439 0.00 0.00 +0.072 A ATOM 27 C LIG 1 3.138 -0.040 0.217 0.00 0.00 +0.028 A ATOM 28 C LIG 1 2.208 0.952 -0.095 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 C LIG 1 3.994 -2.381 -0.155 0.00 0.00 +0.011 A ATOM 30 C LIG 1 5.401 -2.279 -0.162 0.00 0.00 +0.030 A ATOM 31 C LIG 1 6.203 -3.392 0.161 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.621 -4.614 0.492 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.237 -4.738 0.494 0.00 0.00 +0.001 A ATOM 34 C LIG 1 3.439 -3.638 0.172 0.00 0.00 +0.011 A BRANCH 30 35 ATOM 35 C LIG 1 6.098 -1.038 -0.542 0.00 0.00 +0.183 A ATOM 36 N LIG 1 7.183 -0.643 0.140 0.00 0.00 -0.271 N ATOM 37 H LIG 1 7.618 -1.055 0.946 0.00 0.00 +0.174 HD ATOM 38 C LIG 1 7.584 0.512 -0.411 0.00 0.00 +0.440 A ATOM 39 O LIG 1 8.530 1.187 -0.038 0.00 0.00 -0.221 OA ATOM 40 O LIG 1 6.747 0.812 -1.454 0.00 0.00 -0.295 OA ATOM 41 N LIG 1 5.776 -0.238 -1.502 0.00 0.00 -0.054 NA ENDBRANCH 30 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 10