REMARK Name = BDB038678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.361 -0.202 0.889 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.517 -0.904 2.038 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -2.657 -0.790 2.763 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.690 0.028 2.312 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.570 0.727 1.106 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.371 0.611 0.397 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.766 -0.498 -2.278 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.527 0.159 -2.212 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.665 -0.189 -1.188 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.324 0.334 -0.892 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.129 -0.350 0.229 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.861 -1.284 0.741 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.200 1.211 -1.553 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.985 -1.146 -0.230 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.204 -1.797 -0.271 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.093 -1.468 -1.301 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 4.749 -0.151 -3.372 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.412 1.139 -3.170 0.00 0.00 -0.311 NA ATOM 19 H LIG 1 5.897 1.396 -4.028 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 6.359 1.147 -2.049 0.00 0.00 +0.100 C BRANCH 20 21 ATOM 21 C LIG 1 7.666 0.376 -2.305 0.00 0.00 +0.119 C BRANCH 21 24 ATOM 22 C LIG 1 9.356 -0.213 1.034 0.00 0.00 +0.109 C ATOM 23 C LIG 1 8.407 -0.452 -0.108 0.00 0.00 +0.210 C ATOM 24 N LIG 1 8.560 0.419 -1.163 0.00 0.00 -0.314 N ATOM 25 H LIG 1 9.165 1.222 -1.058 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 7.569 -1.348 -0.083 0.00 0.00 -0.276 OA ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 -4.674 1.571 0.613 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.361 1.328 -0.600 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -6.366 2.221 -1.023 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -6.718 3.330 -0.250 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.059 3.563 0.956 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.048 2.696 1.378 0.00 0.00 +0.010 A BRANCH 28 33 ATOM 33 C LIG 1 -5.068 0.199 -1.485 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -5.186 -1.139 -1.194 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -5.672 -1.763 0.006 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -4.826 -1.811 -2.323 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -4.543 -0.955 -3.273 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -4.712 0.306 -2.753 0.00 0.00 -0.129 NA ENDBRANCH 28 33 BRANCH 30 39 ATOM 39 C LIG 1 -7.752 4.220 -0.690 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -8.599 4.938 -1.029 0.00 0.00 -0.191 NA ENDBRANCH 30 39 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 -2.727 -1.593 4.047 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -3.424 -1.070 5.280 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -4.012 -2.228 4.524 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 10