REMARK Name = BDB057540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.691 -1.666 0.330 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.599 -0.288 0.134 0.00 0.00 +0.046 A ATOM 3 C LIG 1 0.350 0.316 -0.051 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.823 -0.448 -0.045 0.00 0.00 -0.045 A ATOM 5 C LIG 1 -0.726 -1.830 0.153 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.522 -2.429 0.337 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 2.837 -2.386 0.517 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 4.089 -1.694 0.538 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 4.638 -1.519 -0.877 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 5.179 1.554 -2.131 0.00 0.00 +0.088 C ATOM 11 C LIG 1 6.040 0.588 -1.427 0.00 0.00 +0.126 A ATOM 12 C LIG 1 5.857 -0.674 -0.901 0.00 0.00 +0.086 A ATOM 13 N LIG 1 7.034 -1.111 -0.339 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 7.882 -0.119 -0.540 0.00 0.00 +0.228 A ATOM 15 O LIG 1 7.335 0.954 -1.197 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 9.289 -0.015 -0.160 0.00 0.00 +0.037 A ATOM 17 C LIG 1 9.905 -1.081 0.514 0.00 0.00 +0.013 A ATOM 18 C LIG 1 11.248 -1.010 0.891 0.00 0.00 +0.001 A ATOM 19 C LIG 1 11.995 0.129 0.598 0.00 0.00 +0.000 A ATOM 20 C LIG 1 11.400 1.196 -0.071 0.00 0.00 +0.001 A ATOM 21 C LIG 1 10.055 1.125 -0.448 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -2.175 0.207 -0.221 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 CA LIG 1 -2.864 0.523 1.118 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -2.294 1.764 1.812 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -1.589 2.634 1.319 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -2.654 1.853 3.113 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -2.271 2.701 3.415 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.342 0.577 0.996 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -4.747 -0.361 1.108 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.049 1.321 0.046 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -6.363 0.945 -0.341 0.00 0.00 +0.080 A ATOM 32 C LIG 1 -7.102 1.732 -1.246 0.00 0.00 +0.017 A ATOM 33 C LIG 1 -6.568 2.910 -1.758 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.299 3.311 -1.364 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.558 2.532 -0.468 0.00 0.00 +0.024 A BRANCH 31 36 ATOM 36 C LIG 1 -6.958 -0.325 0.172 0.00 0.00 +0.341 C ATOM 37 O LIG 1 -6.296 -1.251 0.619 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -8.312 -0.290 0.082 0.00 0.00 -0.458 OA BRANCH 38 39 ATOM 39 C LIG 1 -9.012 -1.452 0.565 0.00 0.00 +0.171 C ATOM 40 C LIG 1 -9.066 -2.507 -0.533 0.00 0.00 +0.052 C ATOM 41 C LIG 1 -10.416 -1.001 0.951 0.00 0.00 +0.052 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 14