REMARK Name = BDB038655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.309 0.065 1.343 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.321 0.685 2.545 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.483 1.171 3.054 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.670 1.030 2.339 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.679 0.406 1.087 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.468 -0.091 0.598 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.825 -2.033 -1.032 0.00 0.00 -0.030 A ATOM 8 C LIG 1 2.452 -1.890 -1.287 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.674 -1.288 -0.313 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.233 -1.003 -0.325 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.060 -0.394 0.887 0.00 0.00 -0.248 N ATOM 12 C LIG 1 1.120 -0.234 1.727 0.00 0.00 +0.154 C ATOM 13 O LIG 1 -0.480 -1.275 -1.273 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.193 -0.833 0.891 0.00 0.00 +0.018 A ATOM 15 C LIG 1 3.536 -0.975 1.152 0.00 0.00 +0.129 A ATOM 16 F LIG 1 4.051 -0.539 2.307 0.00 0.00 -0.205 F ATOM 17 C LIG 1 4.356 -1.576 0.199 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 4.741 -2.677 -2.053 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 5.804 -1.768 -2.508 0.00 0.00 -0.299 NA ATOM 20 C LIG 1 5.265 -0.686 -3.339 0.00 0.00 +0.105 C BRANCH 19 21 ATOM 21 C LIG 1 6.870 -2.478 -3.243 0.00 0.00 +0.112 C BRANCH 21 22 ATOM 22 C LIG 1 7.629 -3.570 -2.454 0.00 0.00 +0.174 C BRANCH 22 24 ATOM 23 C LIG 1 8.938 -2.141 -1.068 0.00 0.00 +0.194 C ATOM 24 O LIG 1 7.994 -3.201 -1.123 0.00 0.00 -0.382 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.923 0.286 0.301 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.702 1.405 -0.083 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.909 1.217 -0.780 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -7.342 -0.065 -1.128 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.569 -1.171 -0.776 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -5.376 -0.996 -0.068 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -5.316 2.779 0.235 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -4.235 3.463 -0.263 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -3.271 3.029 -1.238 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -4.252 4.689 0.329 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -5.288 4.776 1.128 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -5.966 3.583 1.058 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -8.571 -0.244 -1.843 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.562 -0.394 -2.429 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -2.397 1.870 4.397 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -3.105 3.185 4.628 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -3.562 1.952 5.355 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 10