REMARK Name = BDB054685 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.412 -0.614 0.374 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.647 -0.875 -0.090 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 -2.319 0.217 -0.489 0.00 0.00 +0.147 A ATOM 4 C LIG 1 -1.845 1.518 -0.458 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -2.875 2.352 -0.947 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -3.966 1.550 -1.243 0.00 0.00 +0.070 A ATOM 7 C LIG 1 -0.554 1.687 0.027 0.00 0.00 +0.126 A ATOM 8 N LIG 1 -3.605 0.235 -1.002 0.00 0.00 -0.320 N ATOM 9 N LIG 1 0.146 0.615 0.442 0.00 0.00 -0.222 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.243 2.008 -1.690 0.00 0.00 +0.085 A ATOM 11 N LIG 1 -6.205 2.568 -0.877 0.00 0.00 -0.332 N ATOM 12 C LIG 1 -6.115 2.806 0.542 0.00 0.00 +0.150 C ATOM 13 C LIG 1 -7.280 2.876 -1.662 0.00 0.00 +0.199 A ATOM 14 N LIG 1 -7.052 2.603 -2.928 0.00 0.00 -0.243 NA ATOM 15 C LIG 1 -5.779 2.090 -2.960 0.00 0.00 +0.140 A ENDBRANCH 6 10 BRANCH 8 16 ATOM 16 C LIG 1 -4.379 -0.979 -1.211 0.00 0.00 +0.089 C ATOM 17 C LIG 1 -5.664 -1.106 -0.383 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -6.515 -2.080 -1.190 0.00 0.00 +0.002 C ATOM 19 C LIG 1 -6.262 -1.641 -2.625 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -4.779 -1.269 -2.668 0.00 0.00 +0.025 C ENDBRANCH 8 16 BRANCH 1 21 ATOM 21 N LIG 1 0.279 -1.749 0.827 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -0.341 -2.545 0.715 0.00 0.00 +0.155 HD BRANCH 21 27 ATOM 23 C LIG 1 3.653 -1.589 2.045 0.00 0.00 +0.106 A ATOM 24 N LIG 1 3.297 -2.917 2.193 0.00 0.00 -0.344 N ATOM 25 C LIG 1 4.154 -3.959 2.714 0.00 0.00 +0.149 C ATOM 26 C LIG 1 2.025 -3.124 1.722 0.00 0.00 +0.109 A ATOM 27 C LIG 1 1.518 -1.909 1.326 0.00 0.00 +0.052 A ATOM 28 C LIG 1 2.523 -0.942 1.552 0.00 0.00 +0.055 A BRANCH 23 34 ATOM 29 C LIG 1 8.551 1.598 -0.609 0.00 0.00 +0.105 C ATOM 30 N LIG 1 7.161 1.694 -0.154 0.00 0.00 -0.302 NA ATOM 31 C LIG 1 7.061 1.893 1.307 0.00 0.00 +0.103 C ATOM 32 C LIG 1 6.706 0.624 2.105 0.00 0.00 +0.123 C ATOM 33 N LIG 1 5.471 -0.007 1.646 0.00 0.00 -0.294 N ATOM 34 C LIG 1 4.941 -1.034 2.424 0.00 0.00 +0.263 C ATOM 35 O LIG 1 5.560 -1.458 3.400 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 5.116 0.240 0.241 0.00 0.00 +0.123 C ATOM 37 C LIG 1 6.372 0.524 -0.615 0.00 0.00 +0.103 C ENDBRANCH 23 34 ENDBRANCH 21 27 ENDBRANCH 1 21 TORSDOF 5