REMARK Name = BDB024411 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.932 -1.734 -0.522 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.405 -3.129 -0.245 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -3.638 -3.687 -0.533 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -3.597 -4.974 -0.082 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -4.645 -5.961 -0.166 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -2.430 -5.297 0.499 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -1.698 -4.188 0.379 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.428 -1.700 -0.932 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.288 -0.755 -0.231 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.239 -0.214 0.449 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.026 -2.433 -1.808 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.635 -0.425 -0.310 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.000 0.566 0.522 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.307 0.945 0.506 0.00 0.00 +0.136 A ATOM 15 C LIG 1 4.307 0.413 -0.313 0.00 0.00 +0.049 A ATOM 16 C LIG 1 3.874 -0.629 -1.138 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.539 -1.050 -1.149 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.649 0.814 -0.296 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.071 1.792 0.737 0.00 0.00 +0.201 C ATOM 20 C LIG 1 7.578 2.119 0.750 0.00 0.00 +0.233 C ATOM 21 O LIG 1 8.090 2.620 1.754 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 8.299 1.923 -0.428 0.00 0.00 -0.302 N ATOM 23 C LIG 1 9.731 2.155 -0.402 0.00 0.00 +0.132 C ATOM 24 C LIG 1 7.798 0.995 -1.435 0.00 0.00 +0.126 C ATOM 25 C LIG 1 6.278 1.056 -1.605 0.00 0.00 +0.124 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.146 -0.905 0.701 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.008 -1.518 1.509 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.498 -0.332 0.772 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -3.096 1.461 -1.031 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.531 1.173 0.411 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.912 1.755 0.691 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.034 1.388 -0.068 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.292 1.929 0.212 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -7.446 2.844 1.257 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.336 3.215 2.021 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.079 2.673 1.739 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -8.736 3.399 1.544 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.782 3.845 1.776 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9