REMARK Name = BDB015236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.225 0.991 0.733 0.00 0.00 -0.325 N ATOM 2 H LIG 1 0.178 1.414 1.571 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -3.705 0.692 0.156 0.00 0.00 +0.068 A ATOM 4 N LIG 1 -3.547 1.017 1.478 0.00 0.00 -0.275 N ATOM 5 H LIG 1 -4.272 1.169 2.169 0.00 0.00 +0.189 HD ATOM 6 N LIG 1 -2.271 1.155 1.865 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -1.571 0.943 0.755 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -2.415 0.652 -0.339 0.00 0.00 +0.073 A BRANCH 3 15 ATOM 9 C LIG 1 -8.763 -1.528 1.157 0.00 0.00 +0.150 C ATOM 10 N LIG 1 -8.457 -0.909 -0.107 0.00 0.00 -0.333 N ATOM 11 C LIG 1 -7.262 -0.334 -0.461 0.00 0.00 +0.069 A ATOM 12 C LIG 1 -7.473 0.102 -1.766 0.00 0.00 +0.089 A ATOM 13 C LIG 1 -6.433 0.738 -2.454 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -5.203 0.918 -1.803 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -5.001 0.483 -0.484 0.00 0.00 +0.002 A ATOM 16 N LIG 1 -8.748 -0.189 -2.183 0.00 0.00 -0.236 NA ATOM 17 C LIG 1 -6.042 -0.160 0.210 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -9.314 -0.796 -1.165 0.00 0.00 +0.200 A ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 0.513 1.377 -0.464 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 2.031 1.305 -0.216 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 2.390 2.158 0.884 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 3.238 1.793 1.213 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 2.517 -0.132 0.076 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 3.954 -0.162 0.447 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 4.820 0.104 -0.722 0.00 0.00 +0.120 C ATOM 26 C LIG 1 6.296 -0.114 -0.457 0.00 0.00 -0.030 A ATOM 27 C LIG 1 6.729 -0.903 0.622 0.00 0.00 -0.042 A ATOM 28 C LIG 1 8.099 -1.111 0.829 0.00 0.00 +0.004 A ATOM 29 C LIG 1 9.035 -0.560 -0.046 0.00 0.00 +0.000 A ATOM 30 C LIG 1 8.610 0.206 -1.129 0.00 0.00 +0.000 A ATOM 31 C LIG 1 5.722 -1.469 1.589 0.00 0.00 +0.051 C ATOM 32 C LIG 1 7.247 0.426 -1.335 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.300 -1.479 1.015 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7