REMARK Name = BDB018241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.789 -0.313 -0.417 0.00 0.00 +0.023 A ATOM 2 C LIG 1 0.376 -0.597 0.259 0.00 0.00 +0.117 A ATOM 3 N LIG 1 1.335 -0.807 -0.700 0.00 0.00 -0.264 N ATOM 4 N LIG 1 0.852 -0.693 -1.959 0.00 0.00 -0.178 NA ATOM 5 C LIG 1 -0.434 -0.375 -1.780 0.00 0.00 +0.143 A ENDROOT BRANCH 1 7 ATOM 6 C LIG 1 -3.304 -0.707 -0.247 0.00 0.00 +0.041 A ATOM 7 C LIG 1 -2.064 -0.004 0.164 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -2.156 0.972 1.090 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -3.356 1.361 1.657 0.00 0.00 -0.318 N ATOM 10 C LIG 1 -3.350 2.445 2.626 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -4.562 0.790 1.282 0.00 0.00 +0.253 A ATOM 12 O LIG 1 -5.662 1.113 1.719 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -4.473 -0.300 0.281 0.00 0.00 +0.093 A BRANCH 6 15 ATOM 14 C LIG 1 -4.258 -2.709 -1.472 0.00 0.00 +0.125 C ATOM 15 N LIG 1 -3.207 -1.765 -1.152 0.00 0.00 -0.346 N ATOM 16 H LIG 1 -2.280 -2.189 -1.163 0.00 0.00 +0.146 HD ENDBRANCH 6 15 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 C LIG 1 2.742 -1.140 -0.449 0.00 0.00 +0.134 C ATOM 18 C LIG 1 3.397 -1.942 -1.578 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 C LIG 1 3.538 0.110 -0.108 0.00 0.00 -0.023 A ATOM 20 C LIG 1 4.214 0.201 1.120 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.954 1.341 1.442 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.031 2.401 0.541 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.369 2.324 -0.682 0.00 0.00 +0.000 A ATOM 24 C LIG 1 3.630 1.186 -1.006 0.00 0.00 +0.006 A ENDBRANCH 17 19 ENDBRANCH 3 17 TORSDOF 4