REMARK Name = BDB015195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.082 -0.643 -0.956 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.866 -0.288 -0.356 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.203 -1.183 -0.349 0.00 0.00 +0.119 A ATOM 4 N LIG 1 0.102 -2.405 -0.903 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -1.071 -2.743 -1.479 0.00 0.00 +0.113 A ATOM 6 C LIG 1 -2.174 -1.910 -1.532 0.00 0.00 +0.028 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -6.819 0.794 -0.016 0.00 0.00 -0.324 N ATOM 8 C LIG 1 -5.518 0.823 -0.452 0.00 0.00 +0.070 A ATOM 9 C LIG 1 -5.387 2.092 -1.012 0.00 0.00 +0.089 A ATOM 10 C LIG 1 -4.159 2.476 -1.565 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -3.091 1.567 -1.536 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -3.223 0.287 -0.972 0.00 0.00 -0.016 A ATOM 13 N LIG 1 -6.561 2.800 -0.922 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 -4.460 -0.099 -0.417 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -7.403 1.992 -0.317 0.00 0.00 +0.200 A BRANCH 7 19 ATOM 16 C LIG 1 -10.606 -0.377 1.717 0.00 0.00 +0.105 C ATOM 17 N LIG 1 -9.277 -0.941 1.503 0.00 0.00 -0.301 NA ATOM 18 C LIG 1 -8.838 -0.742 0.098 0.00 0.00 +0.110 C ATOM 19 C LIG 1 -7.454 -0.350 0.658 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -8.223 0.008 1.948 0.00 0.00 +0.110 C ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 3 21 ATOM 21 N LIG 1 1.394 -0.783 0.291 0.00 0.00 -0.327 N ATOM 22 H LIG 1 1.671 0.109 -0.112 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.470 -1.788 0.222 0.00 0.00 +0.135 C BRANCH 23 24 ATOM 24 C LIG 1 3.679 -1.331 1.069 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 O LIG 1 3.215 -0.935 2.368 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 2.312 -0.586 2.224 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.452 -0.173 0.385 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 5.654 0.303 1.097 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 6.238 1.496 0.459 0.00 0.00 +0.120 C ATOM 30 C LIG 1 7.496 1.249 -0.341 0.00 0.00 -0.030 A ATOM 31 C LIG 1 8.452 0.365 0.187 0.00 0.00 -0.042 A ATOM 32 C LIG 1 9.673 0.177 -0.462 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.936 0.859 -1.650 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.987 1.734 -2.183 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.089 -0.343 1.464 0.00 0.00 +0.051 C ATOM 36 C LIG 1 7.772 1.936 -1.526 0.00 0.00 +0.005 A ATOM 37 C LIG 1 6.618 -0.780 1.373 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 3 21 TORSDOF 8