REMARK Name = BDB016086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.625 0.031 0.148 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.350 -0.327 0.398 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.597 0.636 0.459 0.00 0.00 +0.133 A ATOM 4 C LIG 1 -0.262 1.986 0.308 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.075 2.243 0.060 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.030 1.298 -0.034 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.975 -1.758 -0.257 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.998 -0.751 -0.178 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.639 -1.041 0.068 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.291 -2.394 0.232 0.00 0.00 +0.011 A ATOM 11 C LIG 1 3.248 -3.408 0.153 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.583 -3.090 -0.091 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.340 0.608 -0.417 0.00 0.00 +0.172 C ATOM 14 N LIG 1 8.293 -0.372 -0.568 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.566 -1.546 -1.163 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 7.396 -2.191 -1.128 0.00 0.00 +0.142 A ATOM 17 C LIG 1 6.369 -1.435 -0.514 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.995 -0.257 -0.160 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 3 19 ATOM 19 N LIG 1 -1.928 0.224 0.672 0.00 0.00 -0.314 N ATOM 20 C LIG 1 -2.829 0.489 -0.467 0.00 0.00 +0.108 C ATOM 21 C LIG 1 -3.454 -0.793 -1.008 0.00 0.00 +0.039 C ATOM 22 C LIG 1 -4.174 -1.596 0.082 0.00 0.00 +0.079 C ATOM 23 C LIG 1 -3.542 -1.413 1.466 0.00 0.00 +0.039 C ATOM 24 C LIG 1 -2.062 -1.082 1.329 0.00 0.00 +0.108 C BRANCH 22 25 ATOM 25 N LIG 1 -5.596 -1.208 0.164 0.00 0.00 -0.192 NA ATOM 26 H LIG 1 -5.821 -0.228 0.346 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 S LIG 1 -6.731 -1.974 -0.801 0.00 0.00 +0.027 S ATOM 28 O LIG 1 -7.874 -1.091 -0.837 0.00 0.00 -0.158 OA ATOM 29 O LIG 1 -6.078 -2.427 -2.007 0.00 0.00 -0.158 OA ATOM 30 C LIG 1 -7.152 -3.385 0.199 0.00 0.00 +0.214 C ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 3 19 BRANCH 4 31 ATOM 31 C LIG 1 -1.198 3.083 0.467 0.00 0.00 +0.024 A ATOM 32 C LIG 1 -1.247 4.211 -0.327 0.00 0.00 +0.116 A ATOM 33 N LIG 1 -2.269 4.975 0.160 0.00 0.00 -0.274 N ATOM 34 C LIG 1 -2.717 6.251 -0.343 0.00 0.00 +0.172 C ATOM 35 N LIG 1 -2.889 4.427 1.219 0.00 0.00 -0.179 NA ATOM 36 C LIG 1 -2.233 3.279 1.409 0.00 0.00 +0.143 A ENDBRANCH 4 31 TORSDOF 6