REMARK Name = BDB004938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.103 -0.997 2.281 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.987 -1.416 1.515 0.00 0.00 +0.028 A ATOM 3 C LIG 1 2.293 -1.378 2.036 0.00 0.00 -0.029 A ATOM 4 C LIG 1 2.498 -0.893 3.333 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.417 -0.473 4.104 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.123 -0.527 3.581 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.907 -1.475 0.611 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.438 -1.005 1.824 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.128 -0.691 2.494 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.258 -2.027 -0.270 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 -5.414 -0.071 0.608 0.00 0.00 +0.119 A ATOM 12 N LIG 1 -6.096 -1.062 0.001 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -5.417 -2.145 -0.437 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -4.059 -2.313 -0.271 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -3.368 -1.310 0.399 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -4.046 -0.170 0.833 0.00 0.00 +0.056 A BRANCH 11 17 ATOM 17 N LIG 1 -6.079 1.063 1.093 0.00 0.00 -0.329 N ATOM 18 H LIG 1 -5.582 1.906 0.825 0.00 0.00 +0.147 HD BRANCH 17 19 ATOM 19 C LIG 1 -7.515 1.148 0.819 0.00 0.00 +0.106 C BRANCH 19 21 ATOM 20 C LIG 1 -9.322 1.431 -0.902 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -7.827 1.597 -0.622 0.00 0.00 -0.000 C ATOM 22 C LIG 1 -7.416 3.051 -0.870 0.00 0.00 +0.009 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 3.467 -1.815 1.190 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 4.097 -0.627 0.627 0.00 0.00 -0.324 N ATOM 25 H LIG 1 3.414 -0.073 0.118 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 5.203 -0.877 -0.213 0.00 0.00 +0.130 A ATOM 27 C LIG 1 5.868 0.208 -0.823 0.00 0.00 +0.041 A ATOM 28 C LIG 1 6.955 -0.108 -1.662 0.00 0.00 +0.088 A ATOM 29 C LIG 1 7.624 0.963 -2.293 0.00 0.00 +0.063 A ATOM 30 C LIG 1 7.229 2.299 -2.085 0.00 0.00 +0.015 A ATOM 31 C LIG 1 6.169 2.599 -1.245 0.00 0.00 +0.002 A ATOM 32 N LIG 1 7.329 -1.396 -1.837 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 6.646 -2.343 -1.184 0.00 0.00 +0.223 A ATOM 34 C LIG 1 5.495 1.561 -0.618 0.00 0.00 +0.013 A ATOM 35 N LIG 1 5.604 -2.146 -0.380 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 8.788 0.773 -3.216 0.00 0.00 +0.244 C ATOM 37 O LIG 1 9.358 1.728 -3.735 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 9.212 -0.495 -3.477 0.00 0.00 -0.325 N ATOM 39 H LIG 1 8.766 -1.294 -3.036 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 10.008 -0.631 -4.083 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 9