REMARK Name = BDB028856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.614 3.995 -2.040 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -2.454 2.829 -1.310 0.00 0.00 +0.163 A ATOM 3 N LIG 1 -1.208 2.291 -1.665 0.00 0.00 -0.200 N ATOM 4 C LIG 1 -0.733 1.096 -1.056 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -1.528 0.506 -0.142 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -2.859 1.124 0.163 0.00 0.00 +0.124 A ATOM 7 N LIG 1 -0.593 3.076 -2.604 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -3.276 2.234 -0.395 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 -1.437 4.086 -2.809 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.398 5.143 -3.384 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -3.776 4.942 -1.999 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -3.377 6.288 -1.387 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -3.737 0.559 1.059 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -4.623 1.057 1.057 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.832 -0.861 1.342 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -3.123 -1.204 2.662 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -2.935 -2.729 2.756 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -2.710 -3.159 4.215 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -3.808 -2.813 5.117 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -4.377 -3.633 5.326 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -4.664 -1.733 4.628 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -3.878 -0.650 3.890 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -1.831 -3.105 1.934 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -1.695 -4.064 2.035 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 0.508 0.545 -1.385 0.00 0.00 -0.323 N ATOM 26 H LIG 1 0.870 -0.139 -0.721 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 1.570 1.181 -2.166 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 C LIG 1 2.860 0.392 -2.167 0.00 0.00 +0.097 A ATOM 29 S LIG 1 3.840 0.327 -3.577 0.00 0.00 -0.071 S ATOM 30 C LIG 1 4.958 -0.688 -2.752 0.00 0.00 +0.039 A ATOM 31 C LIG 1 4.512 -0.900 -1.450 0.00 0.00 +0.080 A ATOM 32 C LIG 1 5.293 -1.699 -0.585 0.00 0.00 +0.052 A ATOM 33 C LIG 1 6.495 -2.302 -1.003 0.00 0.00 +0.031 A ATOM 34 C LIG 1 6.893 -2.048 -2.328 0.00 0.00 +0.024 A ATOM 35 C LIG 1 6.151 -1.254 -3.216 0.00 0.00 +0.019 A ATOM 36 N LIG 1 3.311 -0.285 -1.127 0.00 0.00 -0.242 NA BRANCH 33 37 ATOM 37 N LIG 1 7.286 -3.077 -0.141 0.00 0.00 -0.336 N ATOM 38 C LIG 1 8.085 -4.151 -0.732 0.00 0.00 +0.129 C ATOM 39 C LIG 1 6.836 -3.311 1.232 0.00 0.00 +0.129 C ENDBRANCH 33 37 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 9