REMARK Name = BDB029650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.819 -1.994 -0.805 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.256 -0.941 -1.686 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.140 -0.465 -1.221 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -1.079 -1.605 -1.133 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -0.551 -2.697 -0.280 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.861 -3.122 -0.750 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.437 -1.319 -0.924 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -2.945 -0.063 -0.568 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -4.255 0.239 -0.373 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -5.136 -0.778 -0.564 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.761 -2.060 -0.928 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -3.402 -2.320 -1.112 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -6.583 -0.454 -0.346 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -6.831 0.875 -0.073 0.00 0.00 -0.305 N ATOM 15 H LIG 1 -6.007 1.452 0.080 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -7.452 -1.317 -0.389 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.135 1.357 0.358 0.00 0.00 +0.096 C ATOM 18 C LIG 1 -8.237 2.860 0.110 0.00 0.00 +0.030 C BRANCH 17 19 ATOM 19 C LIG 1 -8.436 0.996 1.828 0.00 0.00 +0.181 C BRANCH 19 20 ATOM 20 O LIG 1 -7.650 1.761 2.750 0.00 0.00 -0.381 OA ATOM 21 C LIG 1 -6.520 1.049 3.236 0.00 0.00 +0.194 C ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 3.126 -2.463 -1.294 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 7.636 1.934 0.370 0.00 0.00 +0.019 A ATOM 24 C LIG 1 6.827 1.605 1.591 0.00 0.00 +0.252 A ATOM 25 O LIG 1 7.048 2.133 2.676 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 5.822 0.684 1.444 0.00 0.00 -0.321 N ATOM 27 H LIG 1 5.288 0.472 2.276 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 5.521 0.067 0.226 0.00 0.00 +0.068 A ATOM 29 C LIG 1 6.260 0.379 -0.913 0.00 0.00 +0.088 A ATOM 30 N LIG 1 6.036 -0.168 -2.127 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 5.025 -1.066 -2.201 0.00 0.00 +0.116 A ATOM 32 C LIG 1 4.222 -1.442 -1.124 0.00 0.00 -0.013 A ATOM 33 C LIG 1 4.491 -0.858 0.121 0.00 0.00 +0.034 A ATOM 34 C LIG 1 7.342 1.350 -0.806 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 9.978 2.362 1.175 0.00 0.00 +0.009 C ATOM 36 C LIG 1 8.734 2.950 0.524 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 8