REMARK Name = BDB008730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.121 -0.681 -0.796 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.790 -0.811 -0.690 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.062 0.303 -0.493 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.604 1.569 -0.365 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -1.990 1.703 -0.442 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.752 0.553 -0.683 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.633 3.002 -0.311 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.664 3.775 0.844 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -3.279 5.017 0.809 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -3.125 5.555 2.107 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -2.473 4.709 2.916 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -3.594 6.871 2.598 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -3.876 5.525 -0.291 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -3.824 4.704 -1.345 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -2.232 3.632 2.137 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -1.600 2.484 2.745 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -3.253 3.488 -1.413 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.529 -3.113 -1.091 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.931 -1.791 -1.034 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.936 -1.664 -1.109 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.399 -3.552 -0.916 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.720 -4.031 -1.482 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.467 -5.464 -1.016 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.160 -3.974 -1.589 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.974 -3.459 -0.914 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -5.020 -3.716 0.076 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 1.347 0.090 -0.410 0.00 0.00 -0.041 C ATOM 28 C LIG 1 2.529 -0.108 -0.340 0.00 0.00 -0.060 C BRANCH 28 29 ATOM 29 C LIG 1 3.931 -0.378 -0.258 0.00 0.00 +0.026 A ATOM 30 C LIG 1 4.386 -1.698 -0.271 0.00 0.00 +0.025 A ATOM 31 C LIG 1 5.759 -1.988 -0.191 0.00 0.00 -0.014 A ATOM 32 C LIG 1 6.697 -0.935 -0.096 0.00 0.00 +0.003 A ATOM 33 C LIG 1 8.062 -1.295 -0.018 0.00 0.00 +0.046 A ATOM 34 N LIG 1 8.497 -2.582 -0.031 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 7.567 -3.552 -0.123 0.00 0.00 +0.111 A ATOM 36 C LIG 1 9.145 -0.258 0.085 0.00 0.00 +0.066 C ATOM 37 C LIG 1 6.212 0.394 -0.086 0.00 0.00 +0.011 A ATOM 38 C LIG 1 6.209 -3.311 -0.205 0.00 0.00 +0.028 A ATOM 39 C LIG 1 4.844 0.668 -0.166 0.00 0.00 +0.017 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6