REMARK Name = BDB016098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.384 -1.564 0.096 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.120 -1.317 0.485 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 0.237 -2.330 0.532 0.00 0.00 +0.130 A ATOM 4 C LIG 1 0.618 -3.631 0.210 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.942 -3.782 -0.171 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.840 -2.777 -0.248 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.634 2.036 0.156 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.821 0.900 0.283 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.289 -0.402 0.001 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.632 -0.529 -0.390 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.462 0.590 -0.504 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.964 1.867 -0.238 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 2.651 6.896 -0.094 0.00 0.00 +0.172 C ATOM 14 N LIG 1 2.635 5.499 0.266 0.00 0.00 -0.274 N ATOM 15 N LIG 1 1.741 5.059 1.168 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 2.027 3.757 1.278 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.072 3.351 0.413 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.441 4.515 -0.229 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.274 -4.773 0.275 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.314 -5.801 -0.646 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.290 -6.656 -0.220 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -1.708 -7.884 -0.852 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -1.894 -6.256 0.911 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.269 -5.117 1.218 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.072 -2.034 0.942 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -1.764 -2.467 0.337 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.376 -0.642 1.310 0.00 0.00 +0.126 C BRANCH 27 28 ATOM 28 C LIG 1 -1.995 0.238 0.164 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -3.486 -0.144 -0.069 0.00 0.00 +0.025 C ATOM 30 C LIG 1 -3.949 -0.084 -1.529 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -3.311 1.071 -2.281 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -1.790 0.946 -2.315 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -1.217 0.097 -1.172 0.00 0.00 +0.025 C BRANCH 28 34 ATOM 34 N LIG 1 -1.913 1.721 0.515 0.00 0.00 -0.187 NA ATOM 35 H LIG 1 -0.996 2.093 0.248 0.00 0.00 +0.148 HD BRANCH 34 36 ATOM 36 S LIG 1 -2.212 2.229 2.103 0.00 0.00 +0.027 S ATOM 37 O LIG 1 -0.935 2.180 2.778 0.00 0.00 -0.158 OA ATOM 38 O LIG 1 -3.369 1.531 2.611 0.00 0.00 -0.158 OA ATOM 39 C LIG 1 -2.649 3.931 1.828 0.00 0.00 +0.214 C ENDBRANCH 34 36 ENDBRANCH 28 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8