REMARK Name = BDB005003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.701 -3.300 -1.143 0.00 0.00 +0.099 C ATOM 2 C LIG 1 0.422 -4.337 -1.012 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 1.169 -0.096 -2.168 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.697 -1.177 -1.412 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.201 -2.114 -1.955 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.619 -1.949 -3.282 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.152 -0.876 -4.041 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.739 0.046 -3.486 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 2.667 1.915 -2.058 0.00 0.00 +0.268 C ATOM 10 N LIG 1 2.062 0.787 -1.536 0.00 0.00 -0.280 N ATOM 11 H LIG 1 2.304 0.591 -0.567 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.545 2.373 -3.187 0.00 0.00 -0.268 OA BRANCH 9 16 ATOM 13 C LIG 1 5.173 3.869 0.649 0.00 0.00 +0.233 A ATOM 14 N LIG 1 5.066 4.414 -0.585 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 4.241 3.754 -1.442 0.00 0.00 +0.147 A ATOM 16 C LIG 1 3.557 2.602 -1.078 0.00 0.00 +0.144 A ATOM 17 N LIG 1 3.663 2.045 0.165 0.00 0.00 -0.244 NA ATOM 18 C LIG 1 4.487 2.714 1.011 0.00 0.00 +0.178 A BRANCH 13 20 ATOM 19 C LIG 1 6.648 5.618 1.130 0.00 0.00 +0.279 C ATOM 20 O LIG 1 5.981 4.451 1.602 0.00 0.00 -0.479 OA ENDBRANCH 13 20 ENDBRANCH 9 16 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 -1.115 -2.886 0.206 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -1.135 -3.676 0.845 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.365 -2.232 0.310 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -2.761 -1.706 1.558 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -4.024 -1.086 1.610 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -4.442 -0.562 2.852 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -3.623 -0.645 3.996 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -2.375 -1.245 3.929 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -4.790 -1.002 0.499 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -4.306 -1.520 -0.636 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -1.947 -1.769 2.717 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -3.139 -2.140 -0.781 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -5.761 0.116 3.056 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -6.083 0.581 4.144 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -6.614 0.213 1.997 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -7.482 0.714 2.112 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -6.337 -0.115 1.076 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7