REMARK Name = BDB032488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.151 -1.087 -0.501 0.00 0.00 -0.027 A ATOM 2 C LIG 1 0.224 -0.039 -0.551 0.00 0.00 +0.033 A ATOM 3 C LIG 1 -1.113 -0.277 -0.223 0.00 0.00 +0.071 A ATOM 4 N LIG 1 -1.540 -1.513 0.139 0.00 0.00 -0.255 NA ATOM 5 C LIG 1 -0.633 -2.511 0.193 0.00 0.00 +0.112 A ATOM 6 C LIG 1 0.706 -2.351 -0.111 0.00 0.00 +0.025 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.147 0.779 -0.257 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.475 0.474 -0.613 0.00 0.00 +0.015 A ATOM 9 C LIG 1 -4.480 1.457 -0.665 0.00 0.00 -0.033 A ATOM 10 C LIG 1 -4.149 2.778 -0.345 0.00 0.00 +0.005 A ATOM 11 C LIG 1 -2.847 3.106 0.022 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.859 2.117 0.067 0.00 0.00 +0.010 A BRANCH 9 13 ATOM 13 C LIG 1 -5.892 1.088 -1.069 0.00 0.00 +0.119 C BRANCH 13 14 ATOM 14 N LIG 1 -6.521 0.131 -0.156 0.00 0.00 -0.298 NA ATOM 15 C LIG 1 -6.765 0.676 1.180 0.00 0.00 +0.085 C ATOM 16 C LIG 1 -7.758 -0.309 1.782 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -8.432 -0.979 0.589 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -7.833 -0.303 -0.634 0.00 0.00 +0.085 C ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 19 C LIG 1 2.603 -0.859 -0.841 0.00 0.00 +0.137 C BRANCH 19 20 ATOM 20 N LIG 1 3.397 -0.954 0.376 0.00 0.00 -0.340 N ATOM 21 H LIG 1 2.927 -0.543 1.179 0.00 0.00 +0.146 HD BRANCH 20 26 ATOM 22 C LIG 1 8.970 0.090 0.401 0.00 0.00 +0.124 A ATOM 23 C LIG 1 7.575 -0.158 0.437 0.00 0.00 +0.022 A ATOM 24 C LIG 1 6.931 -0.434 -0.786 0.00 0.00 -0.011 A ATOM 25 C LIG 1 5.543 -0.687 -0.812 0.00 0.00 +0.031 A ATOM 26 C LIG 1 4.759 -0.644 0.347 0.00 0.00 +0.028 A ATOM 27 C LIG 1 5.414 -0.410 1.560 0.00 0.00 +0.023 A ATOM 28 C LIG 1 7.687 -0.458 -1.961 0.00 0.00 +0.028 A ATOM 29 C LIG 1 9.043 -0.202 -1.883 0.00 0.00 +0.113 A ATOM 30 C LIG 1 6.789 -0.158 1.609 0.00 0.00 +0.014 A ATOM 31 N LIG 1 9.691 0.070 -0.735 0.00 0.00 -0.240 NA BRANCH 22 32 ATOM 32 N LIG 1 9.691 0.370 1.573 0.00 0.00 -0.343 N ATOM 33 H LIG 1 9.301 1.196 2.015 0.00 0.00 +0.144 HD ATOM 34 H LIG 1 9.602 -0.414 2.211 0.00 0.00 +0.144 HD ENDBRANCH 22 32 ENDBRANCH 20 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7