REMARK Name = BDB034148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.523 -1.990 -0.287 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.202 -0.557 -0.491 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -1.215 -0.290 -1.050 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -2.239 -0.818 -0.135 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -1.852 -1.982 0.680 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.697 -2.769 0.016 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.512 -0.281 -0.064 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -4.039 0.543 -1.063 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -5.336 1.088 -0.977 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -6.115 0.794 0.153 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -7.412 1.357 0.194 0.00 0.00 +0.145 A ATOM 12 N LIG 1 -7.916 2.148 -0.789 0.00 0.00 -0.238 NA ATOM 13 C LIG 1 -7.132 2.400 -1.852 0.00 0.00 +0.113 A ATOM 14 N LIG 1 -5.642 -0.015 1.132 0.00 0.00 -0.250 NA ATOM 15 C LIG 1 -5.852 1.903 -1.992 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -4.384 -0.510 1.002 0.00 0.00 +0.134 A BRANCH 11 17 ATOM 17 N LIG 1 -8.190 1.142 1.362 0.00 0.00 -0.330 N ATOM 18 H LIG 1 -7.972 0.205 1.700 0.00 0.00 +0.147 HD ATOM 19 C LIG 1 -9.606 1.399 1.200 0.00 0.00 +0.127 C ENDBRANCH 11 17 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 1.552 -2.174 0.746 0.00 0.00 +0.121 C BRANCH 20 30 ATOM 21 C LIG 1 7.239 0.882 -0.135 0.00 0.00 +0.019 A ATOM 22 C LIG 1 6.579 1.462 1.081 0.00 0.00 +0.252 A ATOM 23 O LIG 1 7.095 2.364 1.733 0.00 0.00 -0.268 OA ATOM 24 N LIG 1 5.361 0.942 1.438 0.00 0.00 -0.321 N ATOM 25 H LIG 1 4.934 1.343 2.261 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 4.722 -0.075 0.721 0.00 0.00 +0.068 A ATOM 27 C LIG 1 5.326 -0.607 -0.417 0.00 0.00 +0.088 A ATOM 28 N LIG 1 4.780 -1.586 -1.168 0.00 0.00 -0.253 NA ATOM 29 C LIG 1 3.574 -2.050 -0.761 0.00 0.00 +0.116 A ATOM 30 C LIG 1 2.888 -1.586 0.363 0.00 0.00 -0.013 A ATOM 31 C LIG 1 3.486 -0.571 1.119 0.00 0.00 +0.034 A ATOM 32 C LIG 1 6.623 -0.088 -0.835 0.00 0.00 +0.038 A BRANCH 21 34 ATOM 33 C LIG 1 9.710 0.926 0.320 0.00 0.00 +0.009 C ATOM 34 C LIG 1 8.570 1.457 -0.537 0.00 0.00 +0.037 C ENDBRANCH 21 34 ENDBRANCH 20 30 ENDBRANCH 1 20 TORSDOF 5