REMARK Name = BDB015215 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.280 -1.067 -0.775 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.706 0.099 -0.250 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.577 0.072 0.294 0.00 0.00 +0.119 A ATOM 4 N LIG 1 1.292 -1.069 0.354 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 0.736 -2.189 -0.152 0.00 0.00 +0.113 A ATOM 6 C LIG 1 -0.524 -2.238 -0.722 0.00 0.00 +0.028 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -6.246 -0.198 -0.742 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -4.998 -0.582 -1.178 0.00 0.00 +0.069 A ATOM 9 C LIG 1 -5.223 -1.055 -2.469 0.00 0.00 +0.089 A ATOM 10 C LIG 1 -4.146 -1.540 -3.222 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -2.864 -1.536 -2.651 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -2.635 -1.058 -1.349 0.00 0.00 -0.016 A ATOM 13 N LIG 1 -6.547 -0.958 -2.810 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 -3.722 -0.569 -0.595 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -7.134 -0.434 -1.758 0.00 0.00 +0.200 A BRANCH 7 19 ATOM 16 C LIG 1 -9.877 0.385 2.184 0.00 0.00 +0.105 C ATOM 17 N LIG 1 -8.838 0.641 1.196 0.00 0.00 -0.303 NA ATOM 18 C LIG 1 -7.742 -0.333 1.265 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -6.574 0.368 0.552 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -6.984 1.845 0.472 0.00 0.00 +0.042 C ATOM 21 C LIG 1 -8.206 1.948 1.372 0.00 0.00 +0.086 C ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 3 22 ATOM 22 N LIG 1 1.086 1.265 0.836 0.00 0.00 -0.327 N ATOM 23 H LIG 1 0.994 2.010 0.144 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 2.483 1.207 1.286 0.00 0.00 +0.135 C BRANCH 24 25 ATOM 25 C LIG 1 3.455 1.299 0.095 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 3.249 2.552 -0.587 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 4.093 2.711 -1.058 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 4.920 1.222 0.573 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 5.880 1.511 -0.520 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 7.253 1.656 0.012 0.00 0.00 +0.120 C ATOM 31 C LIG 1 7.937 0.356 0.379 0.00 0.00 -0.030 A ATOM 32 C LIG 1 7.534 -0.862 -0.200 0.00 0.00 -0.042 A ATOM 33 C LIG 1 8.207 -2.046 0.131 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.289 -2.019 1.011 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.702 -0.813 1.570 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.342 -0.907 -1.123 0.00 0.00 +0.051 C ATOM 37 C LIG 1 9.033 0.370 1.254 0.00 0.00 +0.005 A ATOM 38 C LIG 1 5.899 0.489 -1.585 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 3 22 TORSDOF 8