REMARK Name = BDB034703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.832 0.778 2.346 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -0.349 0.656 1.599 0.00 0.00 +0.072 A ATOM 3 C LIG 1 -1.266 1.583 2.090 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -2.524 1.709 1.545 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.842 0.873 0.464 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.914 -0.060 -0.060 0.00 0.00 +0.033 A ATOM 7 N LIG 1 -0.652 2.282 3.137 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -1.251 3.349 3.884 0.00 0.00 +0.154 C ATOM 9 C LIG 1 -0.649 -0.175 0.537 0.00 0.00 +0.051 A ATOM 10 C LIG 1 0.668 1.806 3.299 0.00 0.00 +0.330 A ATOM 11 O LIG 1 1.503 2.205 4.095 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -2.220 -0.911 -1.142 0.00 0.00 -0.313 N ATOM 13 H LIG 1 -1.390 -1.210 -1.656 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 -3.450 -1.411 -1.623 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -3.650 -1.671 -2.991 0.00 0.00 +0.110 A ATOM 16 C LIG 1 -4.900 -2.122 -3.395 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 -5.290 -2.480 -5.035 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 -5.946 -2.325 -2.562 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 -5.738 -2.066 -1.258 0.00 0.00 +0.114 A ATOM 20 C LIG 1 -4.532 -1.610 -0.754 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 -2.607 -1.465 -3.945 0.00 0.00 +0.104 C ATOM 22 N LIG 1 -1.737 -1.294 -4.695 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 2.040 0.024 2.117 0.00 0.00 +0.129 C BRANCH 23 24 ATOM 24 C LIG 1 2.787 0.501 0.870 0.00 0.00 +0.043 C BRANCH 24 25 ATOM 25 C LIG 1 3.838 -0.523 0.412 0.00 0.00 +0.071 C ATOM 26 C LIG 1 5.138 -0.390 1.199 0.00 0.00 +0.028 C BRANCH 25 29 ATOM 27 C LIG 1 3.550 -0.549 -3.372 0.00 0.00 +0.109 C ATOM 28 C LIG 1 3.188 -0.859 -1.945 0.00 0.00 +0.210 C ATOM 29 N LIG 1 4.096 -0.390 -1.017 0.00 0.00 -0.313 N ATOM 30 H LIG 1 4.780 0.293 -1.320 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 2.159 -1.459 -1.646 0.00 0.00 -0.276 OA ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 7