REMARK Name = BDB036206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.019 -1.105 -0.178 0.00 0.00 -0.326 N ATOM 2 C LIG 1 1.191 -2.515 0.220 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.150 -3.067 0.757 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -1.209 -3.082 -0.265 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -1.011 -2.066 -1.310 0.00 0.00 +0.103 C ATOM 6 C LIG 1 -0.259 -0.790 -0.862 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.306 1.190 -1.319 0.00 0.00 +0.126 A ATOM 8 N LIG 1 3.247 1.826 -0.753 0.00 0.00 -0.245 NA ATOM 9 C LIG 1 2.192 1.054 -0.368 0.00 0.00 +0.060 A ATOM 10 C LIG 1 1.086 1.809 0.317 0.00 0.00 +0.067 C ATOM 11 C LIG 1 2.129 -0.347 -0.553 0.00 0.00 +0.051 A ATOM 12 C LIG 1 3.262 -0.941 -1.131 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.360 -0.176 -1.522 0.00 0.00 +0.035 A BRANCH 7 17 ATOM 14 C LIG 1 6.236 4.400 -1.833 0.00 0.00 +0.128 C ATOM 15 N LIG 1 5.301 3.390 -1.421 0.00 0.00 -0.313 N ATOM 16 H LIG 1 4.396 3.649 -1.033 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 5.459 2.056 -1.732 0.00 0.00 +0.262 C ATOM 18 O LIG 1 6.440 1.591 -2.301 0.00 0.00 -0.269 OA ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 -2.574 -3.209 0.249 0.00 0.00 +0.122 C BRANCH 19 20 ATOM 20 C LIG 1 -3.131 -2.038 1.024 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -3.848 -1.023 0.381 0.00 0.00 +0.153 A ATOM 22 F LIG 1 -4.055 -1.084 -0.944 0.00 0.00 -0.203 F ATOM 23 C LIG 1 -4.362 0.062 1.093 0.00 0.00 +0.104 A ATOM 24 C LIG 1 -4.180 0.156 2.478 0.00 0.00 +0.090 A ATOM 25 N LIG 1 -4.681 1.233 3.234 0.00 0.00 -0.248 NA ATOM 26 C LIG 1 -5.328 2.161 2.596 0.00 0.00 +0.181 A ATOM 27 C LIG 1 -5.573 2.152 1.102 0.00 0.00 +0.267 A ATOM 28 O LIG 1 -6.188 3.071 0.584 0.00 0.00 -0.266 OA ATOM 29 C LIG 1 -3.481 -0.859 3.131 0.00 0.00 +0.030 A ATOM 30 N LIG 1 -5.066 1.075 0.426 0.00 0.00 -0.317 N ATOM 31 H LIG 1 -5.210 1.023 -0.575 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 -2.965 -1.947 2.416 0.00 0.00 +0.010 A ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 4