REMARK Name = BDB038723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.129 -1.036 0.976 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.769 -0.713 0.951 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.859 -1.605 0.403 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.254 -2.797 -0.101 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 3.566 -3.137 -0.079 0.00 0.00 +0.047 A ATOM 6 C LIG 1 4.517 -2.273 0.454 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.484 -1.321 0.333 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.163 -0.144 0.685 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.282 0.906 1.113 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.594 -0.361 0.431 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.761 -1.649 -0.068 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -3.020 -2.118 -0.393 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.111 -1.261 -0.205 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.941 0.048 0.306 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -2.653 0.507 0.622 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.436 -2.328 -0.172 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -5.136 0.963 0.472 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 -5.234 1.857 -0.671 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 -5.270 1.311 -1.529 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 -6.258 2.911 -0.656 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -5.969 3.755 -1.921 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -6.108 3.837 0.564 0.00 0.00 +0.028 C BRANCH 20 23 ATOM 23 C LIG 1 -7.723 2.440 -0.756 0.00 0.00 +0.060 C ATOM 24 C LIG 1 -8.401 1.626 0.358 0.00 0.00 +0.167 C ATOM 25 O LIG 1 -8.507 0.463 -0.495 0.00 0.00 -0.379 OA ATOM 26 C LIG 1 -8.091 1.239 -1.644 0.00 0.00 +0.167 C ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 6.177 0.447 0.763 0.00 0.00 +0.028 A ATOM 28 C LIG 1 5.123 -0.099 1.533 0.00 0.00 -0.007 A ATOM 29 C LIG 1 5.039 0.255 2.894 0.00 0.00 +0.010 A ATOM 30 C LIG 1 5.980 1.105 3.483 0.00 0.00 +0.019 A ATOM 31 C LIG 1 7.032 1.617 2.723 0.00 0.00 +0.052 A ATOM 32 C LIG 1 7.130 1.285 1.369 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 4.323 1.373 -1.602 0.00 0.00 +0.152 C ATOM 34 N LIG 1 5.502 0.552 -1.675 0.00 0.00 -0.317 N ATOM 35 C LIG 1 6.340 0.158 -0.661 0.00 0.00 +0.164 A ATOM 36 N LIG 1 7.340 -0.520 -1.194 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 7.133 -0.608 -2.550 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 6.027 0.041 -2.824 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 8.004 2.480 3.327 0.00 0.00 +0.099 C ATOM 40 N LIG 1 8.783 3.184 3.819 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 3.984 -4.462 -0.672 0.00 0.00 +0.038 C ATOM 42 C LIG 1 3.118 -5.688 -0.490 0.00 0.00 +0.010 C ATOM 43 C LIG 1 4.425 -5.588 0.237 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9