REMARK Name = BDB004907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.121 0.929 -0.839 0.00 0.00 +0.033 A ATOM 2 C LIG 1 0.864 1.175 -0.258 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.243 1.577 -1.026 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.091 1.719 -2.409 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.144 1.476 -3.003 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.236 1.084 -2.223 0.00 0.00 +0.023 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 3.173 0.524 -0.008 0.00 0.00 -0.298 N ATOM 8 H LIG 1 2.974 0.502 0.987 0.00 0.00 +0.154 HD BRANCH 7 13 ATOM 9 C LIG 1 8.509 -1.157 2.225 0.00 0.00 +0.150 C ATOM 10 N LIG 1 7.164 -0.754 1.899 0.00 0.00 -0.333 N ATOM 11 C LIG 1 6.676 -0.506 0.641 0.00 0.00 +0.073 A ATOM 12 C LIG 1 5.344 -0.155 0.853 0.00 0.00 +0.129 A ATOM 13 C LIG 1 4.510 0.176 -0.247 0.00 0.00 +0.151 A ATOM 14 N LIG 1 5.063 0.132 -1.494 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 6.362 -0.215 -1.653 0.00 0.00 +0.115 A ATOM 16 N LIG 1 5.040 -0.192 2.205 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 7.238 -0.549 -0.631 0.00 0.00 +0.048 A ATOM 18 C LIG 1 6.155 -0.554 2.798 0.00 0.00 +0.200 A ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 3 19 ATOM 19 C LIG 1 -1.587 1.813 -0.377 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 N LIG 1 -2.456 0.684 -0.685 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.998 -0.194 -0.458 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.730 0.720 -0.082 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.637 -0.336 -0.315 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.888 -0.248 0.326 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -6.803 -1.302 0.118 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -6.484 -2.397 -0.710 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.258 -2.465 -1.349 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -6.181 0.819 1.104 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.257 1.778 1.230 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.342 -1.440 -1.155 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -4.047 1.781 0.675 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -8.162 -1.344 0.744 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -8.937 -2.273 0.537 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -8.535 -0.320 1.562 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.914 0.468 1.726 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -9.457 -0.330 1.973 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 6