REMARK Name = BDB004819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.209 -1.032 -0.293 0.00 0.00 -0.320 N ATOM 2 H LIG 1 0.412 -2.021 -0.180 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.168 -0.321 0.465 0.00 0.00 +0.130 A ATOM 4 C LIG 1 2.534 -0.457 0.139 0.00 0.00 +0.041 A ATOM 5 C LIG 1 3.451 0.243 0.946 0.00 0.00 +0.088 A ATOM 6 C LIG 1 4.822 0.111 0.640 0.00 0.00 +0.063 A ATOM 7 C LIG 1 5.259 -0.684 -0.438 0.00 0.00 +0.015 A ATOM 8 C LIG 1 4.347 -1.354 -1.236 0.00 0.00 +0.002 A ATOM 9 N LIG 1 3.011 1.009 1.970 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 1.691 1.079 2.179 0.00 0.00 +0.223 A ATOM 11 C LIG 1 2.994 -1.239 -0.951 0.00 0.00 +0.013 A ATOM 12 N LIG 1 0.752 0.441 1.486 0.00 0.00 -0.220 NA BRANCH 6 13 ATOM 13 C LIG 1 5.906 0.789 1.419 0.00 0.00 +0.244 C ATOM 14 O LIG 1 7.091 0.632 1.141 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 5.553 1.597 2.458 0.00 0.00 -0.325 N ATOM 16 H LIG 1 4.577 1.741 2.698 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 6.277 2.065 2.984 0.00 0.00 +0.145 HD ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -1.215 -0.734 -0.015 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -1.608 0.592 -0.657 0.00 0.00 -0.024 A ATOM 20 C LIG 1 -2.287 1.564 0.099 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -2.640 2.800 -0.452 0.00 0.00 +0.025 A ATOM 22 C LIG 1 -2.402 3.022 -1.810 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -1.729 2.072 -2.579 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -1.325 0.868 -2.003 0.00 0.00 +0.005 A BRANCH 21 25 ATOM 25 N LIG 1 -3.411 3.708 0.286 0.00 0.00 -0.358 N ATOM 26 H LIG 1 -3.345 4.662 -0.051 0.00 0.00 +0.142 HD ATOM 27 H LIG 1 -3.265 3.639 1.288 0.00 0.00 +0.142 HD ENDBRANCH 21 25 ENDBRANCH 18 19 BRANCH 18 28 ATOM 28 C LIG 1 -2.091 -1.914 -0.567 0.00 0.00 +0.110 C BRANCH 28 30 ATOM 29 C LIG 1 -4.249 -2.884 -1.059 0.00 0.00 +0.104 C ATOM 30 N LIG 1 -3.545 -1.857 -0.291 0.00 0.00 -0.306 NA ATOM 31 C LIG 1 -3.843 -2.003 1.133 0.00 0.00 +0.104 C ENDBRANCH 28 30 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 7