REMARK Name = BDB016703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.327 2.441 0.770 0.00 0.00 +0.093 A ATOM 2 C LIG 1 2.567 1.760 0.984 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.494 2.771 1.208 0.00 0.00 +0.067 A ATOM 4 C LIG 1 4.849 2.531 1.469 0.00 0.00 +0.031 A ATOM 5 C LIG 1 5.312 1.203 1.483 0.00 0.00 -0.041 A ATOM 6 C LIG 1 4.381 0.174 1.261 0.00 0.00 +0.005 A ATOM 7 N LIG 1 2.786 3.936 1.110 0.00 0.00 -0.276 N ATOM 8 H LIG 1 3.135 4.880 1.219 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 3.025 0.429 1.003 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.489 3.771 0.814 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.761 0.881 1.763 0.00 0.00 +0.040 C ATOM 12 C LIG 1 7.656 0.214 0.738 0.00 0.00 +0.081 C ATOM 13 C LIG 1 7.252 -0.208 -0.647 0.00 0.00 -0.011 A ATOM 14 C LIG 1 7.912 -1.413 -0.935 0.00 0.00 +0.038 A ATOM 15 C LIG 1 7.776 -2.091 -2.130 0.00 0.00 +0.023 A ATOM 16 C LIG 1 6.934 -1.527 -3.088 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.266 -0.316 -2.832 0.00 0.00 +0.000 A ATOM 18 N LIG 1 8.708 -1.781 0.152 0.00 0.00 -0.284 N ATOM 19 H LIG 1 9.297 -2.599 0.198 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 6.427 0.350 -1.611 0.00 0.00 +0.006 A ATOM 21 C LIG 1 8.623 -0.861 1.181 0.00 0.00 +0.228 C ATOM 22 O LIG 1 9.205 -0.889 2.252 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 7.876 1.657 1.090 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 -0.412 0.680 0.947 0.00 0.00 +0.010 C ATOM 25 C LIG 1 0.043 1.863 0.501 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 -4.327 -0.950 0.148 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.712 -1.083 1.403 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -2.443 -0.541 1.649 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -1.753 0.156 0.654 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -2.344 0.279 -0.606 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -3.610 -0.263 -0.852 0.00 0.00 +0.006 A BRANCH 26 33 ATOM 32 C LIG 1 -6.465 -2.079 1.072 0.00 0.00 +0.033 C ATOM 33 C LIG 1 -5.726 -1.537 -0.179 0.00 0.00 +0.042 C ATOM 34 C LIG 1 -5.462 -2.757 -1.103 0.00 0.00 +0.033 C BRANCH 33 35 ATOM 35 N LIG 1 -6.545 -0.509 -0.877 0.00 0.00 -0.289 NA ATOM 36 C LIG 1 -6.877 0.691 -0.080 0.00 0.00 +0.113 C ATOM 37 C LIG 1 -8.375 0.815 0.243 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -9.213 0.842 -0.920 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -8.637 0.166 -2.044 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -7.712 -0.992 -1.634 0.00 0.00 +0.113 C ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 5