REMARK Name = BDB001475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.526 0.038 0.068 0.00 0.00 +0.220 A ATOM 2 N LIG 1 2.703 -0.234 -0.520 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 3.798 0.237 0.096 0.00 0.00 +0.097 A ATOM 4 C LIG 1 5.091 -0.057 -0.491 0.00 0.00 +0.091 A ATOM 5 N LIG 1 5.415 -0.582 -1.707 0.00 0.00 -0.264 N ATOM 6 C LIG 1 4.518 -0.990 -2.761 0.00 0.00 +0.173 C ATOM 7 N LIG 1 6.752 -0.697 -1.896 0.00 0.00 -0.166 NA ATOM 8 C LIG 1 7.299 -0.236 -0.748 0.00 0.00 +0.151 A ATOM 9 C LIG 1 6.289 0.181 0.152 0.00 0.00 +0.012 A ATOM 10 C LIG 1 6.341 0.728 1.538 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.057 1.528 1.875 0.00 0.00 +0.043 C ATOM 12 C LIG 1 3.791 0.965 1.276 0.00 0.00 -0.001 A ATOM 13 C LIG 1 2.540 1.204 1.781 0.00 0.00 +0.120 A ATOM 14 N LIG 1 1.412 0.749 1.202 0.00 0.00 -0.222 NA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 8.754 -0.216 -0.542 0.00 0.00 +0.262 C ATOM 16 O LIG 1 9.301 0.173 0.485 0.00 0.00 -0.269 OA ATOM 17 N LIG 1 9.475 -0.679 -1.607 0.00 0.00 -0.324 N ATOM 18 H LIG 1 8.968 -1.022 -2.416 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 10.478 -0.741 -1.549 0.00 0.00 +0.145 HD ENDBRANCH 8 15 BRANCH 1 20 ATOM 20 N LIG 1 0.413 -0.472 -0.596 0.00 0.00 -0.284 N ATOM 21 H LIG 1 0.721 -0.985 -1.408 0.00 0.00 +0.155 HD BRANCH 20 25 ATOM 22 C LIG 1 -3.808 -0.478 0.036 0.00 0.00 +0.030 A ATOM 23 C LIG 1 -2.945 0.136 0.950 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -1.552 0.152 0.759 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -0.962 -0.460 -0.345 0.00 0.00 +0.034 A ATOM 26 C LIG 1 -1.817 -1.090 -1.256 0.00 0.00 +0.025 A ATOM 27 C LIG 1 -3.207 -1.102 -1.066 0.00 0.00 +0.025 A BRANCH 22 32 ATOM 28 C LIG 1 -8.235 1.549 0.637 0.00 0.00 +0.105 C ATOM 29 N LIG 1 -8.094 0.103 0.480 0.00 0.00 -0.302 NA ATOM 30 C LIG 1 -7.472 -0.246 -0.816 0.00 0.00 +0.103 C ATOM 31 C LIG 1 -5.959 0.059 -0.942 0.00 0.00 +0.120 C ATOM 32 N LIG 1 -5.202 -0.525 0.191 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -5.766 -0.172 1.509 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -7.280 -0.488 1.566 0.00 0.00 +0.103 C ENDBRANCH 22 32 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 4