REMARK Name = LIG000355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.323 -0.388 1.368 0.00 0.00 +0.250 C ATOM 2 N LIG 1 -3.016 -1.228 0.291 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -4.003 -1.745 -0.705 0.00 0.00 +0.100 C ATOM 4 C LIG 1 -3.375 -2.216 -2.039 0.00 0.00 +0.166 C ATOM 5 N LIG 1 -2.120 -1.540 -2.277 0.00 0.00 -0.264 N ATOM 6 C LIG 1 -1.242 -1.239 -1.280 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -0.189 -0.597 -1.898 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -0.551 -0.575 -3.268 0.00 0.00 +0.143 A ATOM 9 N LIG 1 -1.721 -1.180 -3.504 0.00 0.00 -0.179 NA ATOM 10 C LIG 1 -1.606 -1.585 0.115 0.00 0.00 +0.163 C ATOM 11 O LIG 1 -2.523 -0.241 2.299 0.00 0.00 -0.272 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 0.969 -0.045 -1.232 0.00 0.00 -0.015 A ATOM 13 C LIG 1 1.794 -0.859 -0.444 0.00 0.00 +0.009 A ATOM 14 C LIG 1 2.920 -0.321 0.184 0.00 0.00 +0.013 A ATOM 15 C LIG 1 3.233 1.032 0.010 0.00 0.00 +0.037 A ATOM 16 C LIG 1 2.400 1.856 -0.752 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.275 1.314 -1.380 0.00 0.00 +0.009 A BRANCH 15 18 ATOM 18 C LIG 1 4.419 1.624 0.679 0.00 0.00 +0.251 C ATOM 19 N LIG 1 5.674 1.030 0.450 0.00 0.00 -0.267 N ATOM 20 C LIG 1 6.796 1.218 1.338 0.00 0.00 +0.040 A ATOM 21 C LIG 1 8.080 0.756 0.973 0.00 0.00 -0.026 A ATOM 22 C LIG 1 9.166 0.896 1.858 0.00 0.00 +0.005 A ATOM 23 C LIG 1 8.999 1.504 3.097 0.00 0.00 +0.000 A ATOM 24 C LIG 1 7.744 1.965 3.467 0.00 0.00 +0.002 A ATOM 25 C LIG 1 8.336 0.072 -0.344 0.00 0.00 +0.038 C ATOM 26 C LIG 1 7.273 0.436 -1.359 0.00 0.00 +0.024 C ATOM 27 C LIG 1 6.656 1.818 2.599 0.00 0.00 +0.024 A ATOM 28 C LIG 1 5.904 0.208 -0.747 0.00 0.00 +0.114 C ATOM 29 O LIG 1 4.196 2.609 1.379 0.00 0.00 -0.270 OA ENDBRANCH 15 18 ENDBRANCH 7 12 BRANCH 3 30 ATOM 30 C LIG 1 -4.935 -2.823 -0.070 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -4.200 -4.084 0.398 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -6.077 -3.205 -1.017 0.00 0.00 +0.009 C ENDBRANCH 3 30 BRANCH 1 33 ATOM 33 C LIG 1 -4.684 0.390 1.356 0.00 0.00 +0.236 C BRANCH 33 34 ATOM 34 C LIG 1 -4.573 1.547 0.402 0.00 0.00 +0.027 A ATOM 35 C LIG 1 -5.470 1.956 -0.568 0.00 0.00 +0.114 A ATOM 36 N LIG 1 -4.915 3.048 -1.168 0.00 0.00 -0.274 N ATOM 37 C LIG 1 -5.476 3.833 -2.240 0.00 0.00 +0.172 C ATOM 38 N LIG 1 -3.714 3.380 -0.667 0.00 0.00 -0.180 NA ATOM 39 C LIG 1 -3.517 2.485 0.303 0.00 0.00 +0.141 A ENDBRANCH 33 34 BRANCH 33 41 ATOM 40 C LIG 1 -5.491 -0.143 3.524 0.00 0.00 +0.195 C ATOM 41 O LIG 1 -5.091 0.887 2.632 0.00 0.00 -0.366 OA ENDBRANCH 33 41 ENDBRANCH 1 33 TORSDOF 6